1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one

C19H24N4O3 — CID 137321170

IUPAC1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one
SMILESO=C(c1cnc2c(c1)OCCC1(CC1)N2)N1CC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1
InChIKeyUQONAEXHTGDOIH-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.65
Rot. Bonds2

About 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one

1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 137321170) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one
PubChem CID137321170
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one
SMILESO=C(c1cnc2c(c1)OCCC1(CC1)N2)N1CC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1
InChIKeyUQONAEXHTGDOIH-AWEZNQCLSA-N
XLogP1.65
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one (CID 137321170) is 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one is O=C(c1cnc2c(c1)OCCC1(CC1)N2)N1CC[C@H](N2CCCC2=O)C1.
What is the InChIKey of 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is UQONAEXHTGDOIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(spiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-8-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 137321170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).