cis-(1R,2S)-2-methylcyclopentane-1-carboxamide

C7H13NO — CID 55289072

IUPACcis-(1R,2S)-2-methylcyclopentane-1-carboxamide
SMILESC[C@H]1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H13NO/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m0/s1
InChIKeyAESZRBRWRMEBDH-NTSWFWBYSA-N
MW127.19 g/mol
LogP0.91
Rot. Bonds1

About cis-(1R,2S)-2-methylcyclopentane-1-carboxamide

cis-(1R,2S)-2-methylcyclopentane-1-carboxamide (PubChem CID 55289072) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is cis-(1R,2S)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methylcyclopentane-1-carboxamide
PubChem CID55289072
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namecis-(1R,2S)-2-methylcyclopentane-1-carboxamide
SMILESC[C@H]1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H13NO/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m0/s1
InChIKeyAESZRBRWRMEBDH-NTSWFWBYSA-N
XLogP0.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2,6,6-trimethylcycloheptane-1-carboxamide
CID 86737466
[(2-methylcyclopentanecarbonyl)amino]thiourea
CID 107185420
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
trans-(1S,2S)-2-hydroxycyclopentane-1-carboxamide
CID 55282135
2-methylcyclooctane-1-carboxylic acid
CID 21039885
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
CID 93234202
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
CID 91164443
4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
CID 144739612

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methylcyclopentane-1-carboxamide (CID 55289072) is cis-(1R,2S)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methylcyclopentane-1-carboxamide is C[C@H]1CCC[C@H]1C(N)=O.
What is the InChIKey of cis-(1R,2S)-2-methylcyclopentane-1-carboxamide?
The InChIKey is AESZRBRWRMEBDH-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methylcyclopentane-1-carboxamide?
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide has a molecular weight of 127.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 55289072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).