4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one

C7H12N2O — CID 105428130

IUPAC4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCN1C(=O)C2CC2C1CN
InChIInChI=1S/C7H12N2O/c1-9-6(3-8)4-2-5(4)7(9)10/h4-6H,2-3,8H2,1H3
InChIKeyNEJZVGUDHGNJEP-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.58
Rot. Bonds1

About 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one

4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 105428130) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID105428130
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCN1C(=O)C2CC2C1CN
InChIInChI=1S/C7H12N2O/c1-9-6(3-8)4-2-5(4)7(9)10/h4-6H,2-3,8H2,1H3
InChIKeyNEJZVGUDHGNJEP-UHFFFAOYSA-N
XLogP-0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-(2-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105470067
4-(aminomethyl)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105470065
4-(aminomethyl)-3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105491011
3-(aminomethyl)-1,4-dimethylazetidin-2-one
CID 20715925
4-(aminomethyl)-3-propyl-3-azabicyclo[3.1.1]heptan-2-one
CID 105440206
(1R,2R,5S)-2-(hydroxymethyl)-4-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 68768093
2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
CID 58264618
(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione
CID 98162011
2-(aminomethyl)-4,5-dimethylmorpholin-3-one
CID 171532110
(1aS,7bR)-1a,4,5,7,7a,7b-hexahydro-1H-cyclopropa[a]indolizine-2,6-dione
CID 82414658
(1R,3S,4R,6S)-3,4-dibromo-7-methyl-7-azabicyclo[4.2.0]octan-8-one
CID 124920538
2,9-dimethyl-2,9-diazatricyclo[8.4.0.04,7]tetradecane-3,8-dione
CID 167951497

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one (CID 105428130) is 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one is CN1C(=O)C2CC2C1CN.
What is the InChIKey of 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is NEJZVGUDHGNJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-6(3-8)4-2-5(4)7(9)10/h4-6H,2-3,8H2,1H3.
What are the key properties of 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one?
4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 105428130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).