2-phenylcyclobutane-1-carboxamide

C11H13NO — CID 132565333

IUPAC2-phenylcyclobutane-1-carboxamide
SMILESNC(=O)C1CCC1c1ccccc1
InChIInChI=1S/C11H13NO/c12-11(13)10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,12,13)
InChIKeyRPIPBXMSZHGYAM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.67
Rot. Bonds2

About 2-phenylcyclobutane-1-carboxamide

2-phenylcyclobutane-1-carboxamide (PubChem CID 132565333) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-phenylcyclobutane-1-carboxamide
PubChem CID132565333
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-phenylcyclobutane-1-carboxamide
SMILESNC(=O)C1CCC1c1ccccc1
InChIInChI=1S/C11H13NO/c12-11(13)10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,12,13)
InChIKeyRPIPBXMSZHGYAM-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 155250067
phenyl 2-phenylcyclobutane-1-carboxylate
CID 143786245
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
CID 13397264
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2,3-dihydro-1H-inden-2-yl (1R)-2-phenylcyclobutane-1-carboxylate
CID 145368316
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
2-phenylcyclopropane-1-carbothioamide
CID 86086576
3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586680
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015

Frequently Asked Questions

What is the IUPAC name of 2-phenylcyclobutane-1-carboxamide?
The IUPAC name of 2-phenylcyclobutane-1-carboxamide (CID 132565333) is 2-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 2-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 2-phenylcyclobutane-1-carboxamide is NC(=O)C1CCC1c1ccccc1.
What is the InChIKey of 2-phenylcyclobutane-1-carboxamide?
The InChIKey is RPIPBXMSZHGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-11(13)10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,12,13).
What are the key properties of 2-phenylcyclobutane-1-carboxamide?
2-phenylcyclobutane-1-carboxamide has a molecular weight of 175.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 132565333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).