(1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C17H28N2O2 — CID 110199360

IUPAC(1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C17H28N2O2/c1-18-11-4-2-3-5-12-19(16(20)13-9-10-13)15-8-6-7-14(15)17(18)21/h13-15H,2-12H2,1H3/t14-,15+/m1/s1
InChIKeyBFJFYERWTFNOQR-CABCVRRESA-N
MW292.42 g/mol
LogP2.43
Rot. Bonds1

About (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199360) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199360
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(C(=O)C2CC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C17H28N2O2/c1-18-11-4-2-3-5-12-19(16(20)13-9-10-13)15-8-6-7-14(15)17(18)21/h13-15H,2-12H2,1H3/t14-,15+/m1/s1
InChIKeyBFJFYERWTFNOQR-CABCVRRESA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one with MolForge

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Related Compounds

(1S,11R)-9-methyl-2-(2-methylpropanoyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199390
(1S,11R)-9-methyl-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199397
(9aR,12aS)-1-isopentyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
CID 110199292
(1S,11R)-2-propanoyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199282
(1S,11R)-2-acetyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199285
(1S,11R)-2-(cyclohexanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199353
(1S,11R)-2-(cyclobutanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199361
(1S,11R)-2-(3-methoxypropanoyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199373
(1S,11R)-2-(1-acetylpiperidine-4-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199374
1-(3-Cyclopentylpropanoyl)-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199380
1-(2-Cyclohexylacetyl)-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199385
1-(2-Cyclopentylacetyl)-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199386

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199360) is (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CN1CCCCCCN(C(=O)C2CC2)[C@H]2CCC[C@H]2C1=O.
What is the InChIKey of (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is BFJFYERWTFNOQR-CABCVRRESA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18-11-4-2-3-5-12-19(16(20)13-9-10-13)15-8-6-7-14(15)17(18)21/h13-15H,2-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 292.42 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(cyclopropanecarbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).