cis-(1S,3R)-3-methylcyclopentane-1-carboxamide

C7H13NO — CID 142105884

IUPACcis-(1S,3R)-3-methylcyclopentane-1-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)C1
InChIInChI=1S/C7H13NO/c1-5-2-3-6(4-5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m1/s1
InChIKeyZYFCJOQNKMJDJQ-RITPCOANSA-N
MW127.19 g/mol
LogP0.91
Rot. Bonds1

About cis-(1S,3R)-3-methylcyclopentane-1-carboxamide

cis-(1S,3R)-3-methylcyclopentane-1-carboxamide (PubChem CID 142105884) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is cis-(1S,3R)-3-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-methylcyclopentane-1-carboxamide
PubChem CID142105884
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namecis-(1S,3R)-3-methylcyclopentane-1-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)C1
InChIInChI=1S/C7H13NO/c1-5-2-3-6(4-5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m1/s1
InChIKeyZYFCJOQNKMJDJQ-RITPCOANSA-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

ethane;3-methylcyclopentane-1-carboxamide;propane-2,2-diol
CID 171107207
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
N',3-dimethylcyclopentane-1-carboximidamide
CID 65413036
2-carbamoyl-5-methylcyclohexane-1-carboxylic acid
CID 91122566
(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
CID 93234202
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxamide;ethane
CID 91164443
1-(3-methylcyclopentyl)prop-2-en-1-one
CID 21394641
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
carbamic acid;methylcyclopropane;hydrochloride
CID 175193332
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
cyclopropanecarboxamide;propanamide
CID 174752815
(3R)-1-[(1R,3R)-3-methylcyclopentyl]piperidine-3-carboxamide
CID 30979824

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-methylcyclopentane-1-carboxamide (CID 142105884) is cis-(1S,3R)-3-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-methylcyclopentane-1-carboxamide is C[C@@H]1CC[C@H](C(N)=O)C1.
What is the InChIKey of cis-(1S,3R)-3-methylcyclopentane-1-carboxamide?
The InChIKey is ZYFCJOQNKMJDJQ-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-2-3-6(4-5)7(8)9/h5-6H,2-4H2,1H3,(H2,8,9)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,3R)-3-methylcyclopentane-1-carboxamide?
cis-(1S,3R)-3-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-(1S,3R)-3-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 142105884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).