1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide

C9H10N2O — CID 78994562

IUPAC1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
SMILESC#CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H10N2O/c1-2-6-11-8(12)9(7-10)4-3-5-9/h1H,3-6H2,(H,11,12)
InChIKeyUVWIDHABQRRDLC-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.43
Rot. Bonds2

About 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide

1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide (PubChem CID 78994562) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
PubChem CID78994562
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
SMILESC#CCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C9H10N2O/c1-2-6-11-8(12)9(7-10)4-3-5-9/h1H,3-6H2,(H,11,12)
InChIKeyUVWIDHABQRRDLC-UHFFFAOYSA-N
XLogP0.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 103993297
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 111434283
1-cyano-N-(2-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 78995285
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
CID 78994466

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide (CID 78994562) is 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide is C#CCNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide?
The InChIKey is UVWIDHABQRRDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-6-11-8(12)9(7-10)4-3-5-9/h1H,3-6H2,(H,11,12).
What are the key properties of 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide?
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide is sourced from PubChem (CID 78994562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).