7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one

C7H12N2O — CID 117045904

IUPAC7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one
SMILESNCC1C2CCC(=O)NC12
InChIInChI=1S/C7H12N2O/c8-3-5-4-1-2-6(10)9-7(4)5/h4-5,7H,1-3,8H2,(H,9,10)
InChIKeyPVVDALPDDJVMDM-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.53
Rot. Bonds1

About 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one

7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one (PubChem CID 117045904) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one.

Molecular Properties

Compound Name7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one
PubChem CID117045904
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one
SMILESNCC1C2CCC(=O)NC12
InChIInChI=1S/C7H12N2O/c8-3-5-4-1-2-6(10)9-7(4)5/h4-5,7H,1-3,8H2,(H,9,10)
InChIKeyPVVDALPDDJVMDM-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(5R)-5-aminopyrrolidin-2-one;hydrochloride
CID 67838431
5-aminopyrrolidin-2-one;hydrochloride
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CID 119031320
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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one?
The IUPAC name of 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one (CID 117045904) is 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one.
What is the SMILES notation for 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one?
The canonical SMILES for 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one is NCC1C2CCC(=O)NC12.
What is the InChIKey of 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one?
The InChIKey is PVVDALPDDJVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-3-5-4-1-2-6(10)9-7(4)5/h4-5,7H,1-3,8H2,(H,9,10).
What are the key properties of 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one?
7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one has a molecular weight of 140.19 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-2-azabicyclo[4.1.0]heptan-3-one is sourced from PubChem (CID 117045904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).