1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide

C13H18N2O — CID 103839419

IUPAC1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC2(C3CC3)CC2)CCC1
InChIInChI=1S/C13H18N2O/c14-8-12(4-1-5-12)11(16)15-9-13(6-7-13)10-2-3-10/h10H,1-7,9H2,(H,15,16)
InChIKeyQZQNQNUQKMPGSJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.99
Rot. Bonds4

About 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide

1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide (PubChem CID 103839419) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
PubChem CID103839419
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC2(C3CC3)CC2)CCC1
InChIInChI=1S/C13H18N2O/c14-8-12(4-1-5-12)11(16)15-9-13(6-7-13)10-2-3-10/h10H,1-7,9H2,(H,15,16)
InChIKeyQZQNQNUQKMPGSJ-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-(2-cyanoethyl)-4,4-dimethylpentanamide
CID 88560362
N-(2-cyanoethyl)-4,4-dimethyl-2-propan-2-ylpentanamide
CID 89027977
4-cyano-N-ethyl-4,5-dimethylhexanamide
CID 123420117
1-cyano-N-ethyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 151824487
1-cyano-N-(cyclobutylmethyl)cyclopentane-1-carboxamide
CID 33379020
1-cyano-N-(cyclopropylmethyl)cyclopentane-1-carboxamide
CID 60743901
2-cyano-N-(dicyclopropylmethyl)-2-propylpentanamide
CID 61845508
2-cyano-N-(cyclobutylmethyl)-2-propylpentanamide
CID 61846055
2-cyano-N-(cyclopropylmethyl)-2-propylpentanamide
CID 61846555
N-(4-cyanobutyl)-3,4,4-trimethylpentanamide
CID 63820842
N-[cyano(cyclopropyl)methyl]-3,4,4-trimethylpentanamide
CID 63822324
N-(3-cyanopropyl)-3,4,4-trimethylpentanamide
CID 63832913

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide (CID 103839419) is 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide is N#CC1(C(=O)NCC2(C3CC3)CC2)CCC1.
What is the InChIKey of 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QZQNQNUQKMPGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-8-12(4-1-5-12)11(16)15-9-13(6-7-13)10-2-3-10/h10H,1-7,9H2,(H,15,16).
What are the key properties of 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide?
1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 103839419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).