(5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one

C11H18N4O2 — CID 71759936

IUPAC(5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one
SMILESC[C@@H]1CCCn2nncc2COCCNC1=O
InChIInChI=1S/C11H18N4O2/c1-9-3-2-5-15-10(7-13-14-15)8-17-6-4-12-11(9)16/h7,9H,2-6,8H2,1H3,(H,12,16)/t9-/m1/s1
InChIKeyLVSOCWXOMDNYMU-SECBINFHSA-N
MW238.29 g/mol
LogP0.34
Rot. Bonds

About (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one

(5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one (PubChem CID 71759936) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one.

Molecular Properties

Compound Name(5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one
PubChem CID71759936
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one
SMILESC[C@@H]1CCCn2nncc2COCCNC1=O
InChIInChI=1S/C11H18N4O2/c1-9-3-2-5-15-10(7-13-14-15)8-17-6-4-12-11(9)16/h7,9H,2-6,8H2,1H3,(H,12,16)/t9-/m1/s1
InChIKeyLVSOCWXOMDNYMU-SECBINFHSA-N
XLogP0.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one with MolForge

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Related Compounds

(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
CID 44505071
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
CID 44506095
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-butyl-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166627983
(3S,18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-[(2S)-butan-2-yl]-3-methyl-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166630252
(17S,20S,23S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-20-[(2S)-butan-2-yl]-2,5,19,22-tetraoxo-15-oxa-1,4,9,10,11,18,21-heptazatricyclo[21.3.0.09,13]hexacosa-10,12-diene-17-carboxamide
CID 166631185
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-(cyclopropylmethyl)-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166634127
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-(2-methylpropyl)-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166634588
(18S,21S,24S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-21-[(2S)-butan-2-yl]-2,5,20,23-tetraoxo-16-oxa-1,4,10,11,12,19,22-heptazatricyclo[22.3.0.010,14]heptacosa-11,13-diene-18-carboxamide
CID 166634841
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
CID 44506097
6-Methyl-9-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-5-one
CID 49818829
7-Methyl-10-oxa-1,7,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-6-one
CID 49819127
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-(methylaminomethyl)-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
CID 44485085

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
The IUPAC name of (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one (CID 71759936) is (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one.
What is the SMILES notation for (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
The canonical SMILES for (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one is C[C@@H]1CCCn2nncc2COCCNC1=O.
What is the InChIKey of (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
The InChIKey is LVSOCWXOMDNYMU-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-3-2-5-15-10(7-13-14-15)8-17-6-4-12-11(9)16/h7,9H,2-6,8H2,1H3,(H,12,16)/t9-/m1/s1.
What are the key properties of (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one?
(5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-10-oxa-1,7,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-6-one is sourced from PubChem (CID 71759936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).