N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide

C12H19NO — CID 139591326

IUPACN-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide
SMILESCC(=O)NC[C@@]1(C)[C@@H]2C=C(C)CC[C@@H]21
InChIInChI=1S/C12H19NO/c1-8-4-5-10-11(6-8)12(10,3)7-13-9(2)14/h6,10-11H,4-5,7H2,1-3H3,(H,13,14)/t10-,11+,12+/m0/s1
InChIKeyJAGDLCPTTCENAK-QJPTWQEYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds2

About N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide

N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide (PubChem CID 139591326) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide
PubChem CID139591326
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide
SMILESCC(=O)NC[C@@]1(C)[C@@H]2C=C(C)CC[C@@H]21
InChIInChI=1S/C12H19NO/c1-8-4-5-10-11(6-8)12(10,3)7-13-9(2)14/h6,10-11H,4-5,7H2,1-3H3,(H,13,14)/t10-,11+,12+/m0/s1
InChIKeyJAGDLCPTTCENAK-QJPTWQEYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide with MolForge

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethylbutanamide
CID 3591890
1,5-Ditert-butyl-2-azabicyclo[4.1.0]hept-4-en-3-one
CID 15326128
3,5,6-trimethyl-N-(2-methylprop-2-enyl)cyclohex-3-ene-1-carboxamide
CID 238056
1-Methyl-4-isopropylcyclohexene, 6-acetamido-
CID 558188
N-(4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl)acetamide
CID 577154
N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]cyclopropanecarboxamide
CID 11543202
N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]acetamide
CID 11644160
N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18712264
N-ethyl-1,3,5-tri(propan-2-yl)cyclohexa-2,5-diene-1-carboxamide
CID 22563197
N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-propylacetamide
CID 57710722
N-butyl-N-[[2-(2,4-dimethylcyclohex-3-en-1-yl)cyclopropyl]methyl]acetamide
CID 57710731
N-methyl-N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]acetamide
CID 57710811

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide?
The IUPAC name of N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide (CID 139591326) is N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide is CC(=O)NC[C@@]1(C)[C@@H]2C=C(C)CC[C@@H]21.
What is the InChIKey of N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide?
The InChIKey is JAGDLCPTTCENAK-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-4-5-10-11(6-8)12(10,3)7-13-9(2)14/h6,10-11H,4-5,7H2,1-3H3,(H,13,14)/t10-,11+,12+/m0/s1.
What are the key properties of N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide?
N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,6S,7R)-3,7-dimethyl-7-bicyclo[4.1.0]hept-2-enyl]methyl]acetamide is sourced from PubChem (CID 139591326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).