2-cyclopentylbutanediamide

C9H16N2O2 — CID 22288225

IUPAC2-cyclopentylbutanediamide
SMILESNC(=O)CC(C(N)=O)C1CCCC1
InChIInChI=1S/C9H16N2O2/c10-8(12)5-7(9(11)13)6-3-1-2-4-6/h6-7H,1-5H2,(H2,10,12)(H2,11,13)
InChIKeyMOYAAWCXSJCBHK-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.15
Rot. Bonds4

About 2-cyclopentylbutanediamide

2-cyclopentylbutanediamide (PubChem CID 22288225) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyclopentylbutanediamide.

Molecular Properties

Compound Name2-cyclopentylbutanediamide
PubChem CID22288225
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyclopentylbutanediamide
SMILESNC(=O)CC(C(N)=O)C1CCCC1
InChIInChI=1S/C9H16N2O2/c10-8(12)5-7(9(11)13)6-3-1-2-4-6/h6-7H,1-5H2,(H2,10,12)(H2,11,13)
InChIKeyMOYAAWCXSJCBHK-UHFFFAOYSA-N
XLogP0.15
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylbutanediamide?
The IUPAC name of 2-cyclopentylbutanediamide (CID 22288225) is 2-cyclopentylbutanediamide.
What is the SMILES notation for 2-cyclopentylbutanediamide?
The canonical SMILES for 2-cyclopentylbutanediamide is NC(=O)CC(C(N)=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylbutanediamide?
The InChIKey is MOYAAWCXSJCBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-8(12)5-7(9(11)13)6-3-1-2-4-6/h6-7H,1-5H2,(H2,10,12)(H2,11,13).
What are the key properties of 2-cyclopentylbutanediamide?
2-cyclopentylbutanediamide has a molecular weight of 184.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylbutanediamide is sourced from PubChem (CID 22288225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).