(5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one

C11H14N2O2 — CID 169261702

IUPAC(5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one
SMILESC[C@H]1NCC2(CC2)Oc2ccc(=O)[nH]c21
InChIInChI=1S/C11H14N2O2/c1-7-10-8(2-3-9(14)13-10)15-11(4-5-11)6-12-7/h2-3,7,12H,4-6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyJLJQEJWXEGFODV-SSDOTTSWSA-N
MW206.25 g/mol
LogP0.95
Rot. Bonds

About (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one

(5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one (PubChem CID 169261702) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name(5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one
PubChem CID169261702
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one
SMILESC[C@H]1NCC2(CC2)Oc2ccc(=O)[nH]c21
InChIInChI=1S/C11H14N2O2/c1-7-10-8(2-3-9(14)13-10)15-11(4-5-11)6-12-7/h2-3,7,12H,4-6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyJLJQEJWXEGFODV-SSDOTTSWSA-N
XLogP0.95
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-2-ethyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
CID 169261742
(2R,5S)-2-cyclopropyl-5-methyl-3,4,5,6-tetrahydro-2H-pyrido[2,3-f][1,4]oxazepin-7-one;hydrochloride
CID 175951954
spiro[3,6-dihydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one;hydrochloride
CID 175959218
2,2-dimethyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
CID 154680530
(2S)-2-ethyl-2-methyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
CID 155065043
(2S)-2-ethyl-2-methyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one;(2R)-2-ethyl-2-methyl-3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepin-7-one
CID 165106722
3,3-dimethyl-10-azatricyclo[4.4.0.02,4]deca-1(6),7-dien-9-one
CID 71438485
spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-5-one
CID 126827517
5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one
CID 118143620
(6S)-6-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 144601804
6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097033
1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride
CID 168851021

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one?
The IUPAC name of (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one (CID 169261702) is (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one.
What is the SMILES notation for (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one?
The canonical SMILES for (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one is C[C@H]1NCC2(CC2)Oc2ccc(=O)[nH]c21.
What is the InChIKey of (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one?
The InChIKey is JLJQEJWXEGFODV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-10-8(2-3-9(14)13-10)15-11(4-5-11)6-12-7/h2-3,7,12H,4-6H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one?
(5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one has a molecular weight of 206.25 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylspiro[3,4,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-2,1'-cyclopropane]-7-one is sourced from PubChem (CID 169261702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).