N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide

C12H20N2O — CID 163837156

IUPACN-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide
SMILESC=CCCCC(=O)NC[C@@]12CCN[C@@H]1C2
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-11(15)14-9-12-6-7-13-10(12)8-12/h2,10,13H,1,3-9H2,(H,14,15)/t10-,12+/m1/s1
InChIKeyOITGLLJFSOWIPA-PWSUYJOCSA-N
MW208.30 g/mol
LogP1.21
Rot. Bonds6

About N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide

N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide (PubChem CID 163837156) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide.

Molecular Properties

Compound NameN-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide
PubChem CID163837156
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide
SMILESC=CCCCC(=O)NC[C@@]12CCN[C@@H]1C2
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-11(15)14-9-12-6-7-13-10(12)8-12/h2,10,13H,1,3-9H2,(H,14,15)/t10-,12+/m1/s1
InChIKeyOITGLLJFSOWIPA-PWSUYJOCSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,8-Diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene
CID 142347399
N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclohex-3-ene-1-carboxamide
CID 43594355
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopent-2-en-1-ylacetamide
CID 43594382
N-(3-azabicyclo[3.1.0]hexan-6-yl)pent-4-enamide
CID 62680071
N-(3-azabicyclo[3.1.0]hexan-6-yl)but-3-enamide
CID 62680072
N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide
CID 64767550
8-But-3-enoyl-2,8-diazaspiro[4.5]decan-3-one
CID 65957748
8-Pent-4-enoyl-2,8-diazaspiro[4.5]decan-3-one
CID 65958837
N-cyclopropyl-N-(piperidin-4-ylmethyl)pent-4-enamide
CID 79720867
1-[4-(Cyclopropylmethylamino)piperidin-1-yl]pent-4-en-1-one
CID 81482737
N-cyclopropyl-N-(piperidin-3-ylmethyl)pent-4-enamide
CID 106628667
Cyclopent-3-en-1-yl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 113283403

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide?
The IUPAC name of N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide (CID 163837156) is N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide.
What is the SMILES notation for N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide?
The canonical SMILES for N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide is C=CCCCC(=O)NC[C@@]12CCN[C@@H]1C2.
What is the InChIKey of N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide?
The InChIKey is OITGLLJFSOWIPA-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-11(15)14-9-12-6-7-13-10(12)8-12/h2,10,13H,1,3-9H2,(H,14,15)/t10-,12+/m1/s1.
What are the key properties of N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide?
N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide has a molecular weight of 208.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide is sourced from PubChem (CID 163837156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).