1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide

C13H22N2O — CID 55135248

IUPAC1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide
SMILESCCCN(C(=O)C1(C#N)CCCC1)C(C)C
InChIInChI=1S/C13H22N2O/c1-4-9-15(11(2)3)12(16)13(10-14)7-5-6-8-13/h11H,4-9H2,1-3H3
InChIKeyBKLKHNDEUJTYDG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds4

About 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide

1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide (PubChem CID 55135248) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide
PubChem CID55135248
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide
SMILESCCCN(C(=O)C1(C#N)CCCC1)C(C)C
InChIInChI=1S/C13H22N2O/c1-4-9-15(11(2)3)12(16)13(10-14)7-5-6-8-13/h11H,4-9H2,1-3H3
InChIKeyBKLKHNDEUJTYDG-UHFFFAOYSA-N
XLogP2.72
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide (CID 55135248) is 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide is CCCN(C(=O)C1(C#N)CCCC1)C(C)C.
What is the InChIKey of 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide?
The InChIKey is BKLKHNDEUJTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-15(11(2)3)12(16)13(10-14)7-5-6-8-13/h11H,4-9H2,1-3H3.
What are the key properties of 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide?
1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide is sourced from PubChem (CID 55135248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).