1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one

C10H16N2O — CID 13283136

IUPAC1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one
SMILESO=C1CCCN1C1=NCCCCC1
InChIInChI=1S/C10H16N2O/c13-10-6-4-8-12(10)9-5-2-1-3-7-11-9/h1-8H2
InChIKeyCZJDAWDQJNAGGU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.58
Rot. Bonds

About 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one

1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one (PubChem CID 13283136) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one
PubChem CID13283136
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one
SMILESO=C1CCCN1C1=NCCCCC1
InChIInChI=1S/C10H16N2O/c13-10-6-4-8-12(10)9-5-2-1-3-7-11-9/h1-8H2
InChIKeyCZJDAWDQJNAGGU-UHFFFAOYSA-N
XLogP1.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57991973
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CID 58171075
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CID 89125246
CID 89125246
CID 21580861
CID 21580861
CID 71337223
CID 71337223
CID 101688980
CID 101688980

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one (CID 13283136) is 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one is O=C1CCCN1C1=NCCCCC1.
What is the InChIKey of 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one?
The InChIKey is CZJDAWDQJNAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10-6-4-8-12(10)9-5-2-1-3-7-11-9/h1-8H2.
What are the key properties of 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one?
1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrrolidin-2-one is sourced from PubChem (CID 13283136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).