1-cyanocyclopentane-1-carboxylic acid

C7H9NO2 — CID 7131045

IUPAC1-cyanocyclopentane-1-carboxylic acid
SMILESN#CC1(C(=O)O)CCCC1
InChIInChI=1S/C7H9NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-4H2,(H,9,10)
InChIKeyQNDGUJXCOJMPNP-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.15
Rot. Bonds1

About 1-cyanocyclopentane-1-carboxylic acid

1-cyanocyclopentane-1-carboxylic acid (PubChem CID 7131045) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-cyanocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyanocyclopentane-1-carboxylic acid
PubChem CID7131045
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-cyanocyclopentane-1-carboxylic acid
SMILESN#CC1(C(=O)O)CCCC1
InChIInChI=1S/C7H9NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-4H2,(H,9,10)
InChIKeyQNDGUJXCOJMPNP-UHFFFAOYSA-N
XLogP1.15
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyanocyclopentane-1-carboxylic acid?
The IUPAC name of 1-cyanocyclopentane-1-carboxylic acid (CID 7131045) is 1-cyanocyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-cyanocyclopentane-1-carboxylic acid?
The canonical SMILES for 1-cyanocyclopentane-1-carboxylic acid is N#CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-cyanocyclopentane-1-carboxylic acid?
The InChIKey is QNDGUJXCOJMPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-4H2,(H,9,10).
What are the key properties of 1-cyanocyclopentane-1-carboxylic acid?
1-cyanocyclopentane-1-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanocyclopentane-1-carboxylic acid is sourced from PubChem (CID 7131045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).