ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide

C12H17NO2 — CID 143988674

IUPACethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESCC.NC(=O)C1(c2ccc(O)cc2)CC1
InChIInChI=1S/C10H11NO2.C2H6/c11-9(13)10(5-6-10)7-1-3-8(12)4-2-7;1-2/h1-4,12H,5-6H2,(H2,11,13);1-2H3
InChIKeyPVESEDHLGRLLJR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.94
Rot. Bonds2

About ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide

ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide (PubChem CID 143988674) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide
PubChem CID143988674
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESCC.NC(=O)C1(c2ccc(O)cc2)CC1
InChIInChI=1S/C10H11NO2.C2H6/c11-9(13)10(5-6-10)7-1-3-8(12)4-2-7;1-2/h1-4,12H,5-6H2,(H2,11,13);1-2H3
InChIKeyPVESEDHLGRLLJR-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide
CID 156893243
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxamide
CID 68742134
1-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 174895931
1-methyl-4-(4-methylphenyl)piperidine-4-carboxamide
CID 142179797
1-(4-bromophenyl)cyclohexane-1-carboxamide
CID 47319711
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
3-hydroxy-1-(4-hydroxyphenyl)-3-methylcyclobutane-1-carboxylic acid
CID 115033215
4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 115041368
1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158410328
benzene-1,4-diol;carbamic acid
CID 158152403
N-deuterio-1-phenylcyclopropane-1-carboxamide
CID 175986247

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide (CID 143988674) is ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide is CC.NC(=O)C1(c2ccc(O)cc2)CC1.
What is the InChIKey of ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is PVESEDHLGRLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C2H6/c11-9(13)10(5-6-10)7-1-3-8(12)4-2-7;1-2/h1-4,12H,5-6H2,(H2,11,13);1-2H3.
What are the key properties of ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide?
ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 207.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 143988674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).