1-methylcyclopentane-1-carboxamide

C7H13NO — CID 853392

IUPAC1-methylcyclopentane-1-carboxamide
SMILESCC1(C(N)=O)CCCC1
InChIInChI=1S/C7H13NO/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H2,8,9)
InChIKeyIGQVSVIYRURIET-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.05
Rot. Bonds1

About 1-methylcyclopentane-1-carboxamide

1-methylcyclopentane-1-carboxamide (PubChem CID 853392) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methylcyclopentane-1-carboxamide
PubChem CID853392
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-methylcyclopentane-1-carboxamide
SMILESCC1(C(N)=O)CCCC1
InChIInChI=1S/C7H13NO/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H2,8,9)
InChIKeyIGQVSVIYRURIET-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-methylcyclopentane-1-carboxamide (CID 853392) is 1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-methylcyclopentane-1-carboxamide is CC1(C(N)=O)CCCC1.
What is the InChIKey of 1-methylcyclopentane-1-carboxamide?
The InChIKey is IGQVSVIYRURIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H2,8,9).
What are the key properties of 1-methylcyclopentane-1-carboxamide?
1-methylcyclopentane-1-carboxamide has a molecular weight of 127.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 853392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).