4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one

C17H22N2O2 — CID 134787094

IUPAC4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one
SMILESCc1ccc2c(n1)OC1(CCCC1)CN(CC1CC1)C2=O
InChIInChI=1S/C17H22N2O2/c1-12-4-7-14-15(18-12)21-17(8-2-3-9-17)11-19(16(14)20)10-13-5-6-13/h4,7,13H,2-3,5-6,8-11H2,1H3
InChIKeyPDKUVULNZLUGEG-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.95
Rot. Bonds2

About 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one

4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one (PubChem CID 134787094) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one
PubChem CID134787094
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one
SMILESCc1ccc2c(n1)OC1(CCCC1)CN(CC1CC1)C2=O
InChIInChI=1S/C17H22N2O2/c1-12-4-7-14-15(18-12)21-17(8-2-3-9-17)11-19(16(14)20)10-13-5-6-13/h4,7,13H,2-3,5-6,8-11H2,1H3
InChIKeyPDKUVULNZLUGEG-UHFFFAOYSA-N
XLogP2.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one (CID 134787094) is 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one is Cc1ccc2c(n1)OC1(CCCC1)CN(CC1CC1)C2=O.
What is the InChIKey of 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one?
The InChIKey is PDKUVULNZLUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-7-14-15(18-12)21-17(8-2-3-9-17)11-19(16(14)20)10-13-5-6-13/h4,7,13H,2-3,5-6,8-11H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one?
4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one has a molecular weight of 286.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-8-methylspiro[3H-pyrido[3,2-f][1,4]oxazepine-2,1'-cyclopentane]-5-one is sourced from PubChem (CID 134787094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).