N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide

C11H19NO — CID 141201618

IUPACN-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCNC(=O)C1C2CCCCC21C
InChIInChI=1S/C11H19NO/c1-3-12-10(13)9-8-6-4-5-7-11(8,9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyWMJFUEWSEWKFRC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds2

About N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide

N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 141201618) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID141201618
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCCNC(=O)C1C2CCCCC21C
InChIInChI=1S/C11H19NO/c1-3-12-10(13)9-8-6-4-5-7-11(8,9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyWMJFUEWSEWKFRC-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,6R,7R)-1-methyl-N-[(Z)-1-phenylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98068928
(1S,6S,7S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 136664067
(1S,6S,7R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 137027687
(1R,6R,7R)-1-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98719836
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
(1R,6R,7S)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 11907641
(1S,6R,7S)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98084880
(1S,6R,7S)-N-[(4-fluorophenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 129437613
(1S,6R,7R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 6939810
(1S,6S,7R)-1-methyl-N-[(5-methylfuran-2-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 124865604
(1S,6R,7S)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98093244
(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 7276310

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide (CID 141201618) is N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide is CCNC(=O)C1C2CCCCC21C.
What is the InChIKey of N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is WMJFUEWSEWKFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12-10(13)9-8-6-4-5-7-11(8,9)2/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide?
N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 141201618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).