2-(4-cyanophenyl)ethylcarbamic acid

C10H10N2O2 — CID 67243316

IUPAC2-(4-cyanophenyl)ethylcarbamic acid
SMILESN#Cc1ccc(CCNC(=O)O)cc1
InChIInChI=1S/C10H10N2O2/c11-7-9-3-1-8(2-4-9)5-6-12-10(13)14/h1-4,12H,5-6H2,(H,13,14)
InChIKeyOHHZARCNEVUEGU-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-cyanophenyl)ethylcarbamic acid

2-(4-cyanophenyl)ethylcarbamic acid (PubChem CID 67243316) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(4-cyanophenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)ethylcarbamic acid
PubChem CID67243316
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(4-cyanophenyl)ethylcarbamic acid
SMILESN#Cc1ccc(CCNC(=O)O)cc1
InChIInChI=1S/C10H10N2O2/c11-7-9-3-1-8(2-4-9)5-6-12-10(13)14/h1-4,12H,5-6H2,(H,13,14)
InChIKeyOHHZARCNEVUEGU-UHFFFAOYSA-N
XLogP1.37
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-cyanophenyl)ethylamino]-3-oxopropanoic acid
CID 19926322
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
1-[2-(4-cyanophenyl)ethyl]-3-iodothiourea
CID 145326788
1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)ethyl]urea
CID 155436717
4-cyano-N-(2-phenylethylcarbamothioyl)benzamide
CID 22908154
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
3-(4-cyanophenyl)propanoic acid;ethane
CID 143422626
trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
CID 158144614
N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide
CID 160631823

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)ethylcarbamic acid?
The IUPAC name of 2-(4-cyanophenyl)ethylcarbamic acid (CID 67243316) is 2-(4-cyanophenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-cyanophenyl)ethylcarbamic acid?
The canonical SMILES for 2-(4-cyanophenyl)ethylcarbamic acid is N#Cc1ccc(CCNC(=O)O)cc1.
What is the InChIKey of 2-(4-cyanophenyl)ethylcarbamic acid?
The InChIKey is OHHZARCNEVUEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-7-9-3-1-8(2-4-9)5-6-12-10(13)14/h1-4,12H,5-6H2,(H,13,14).
What are the key properties of 2-(4-cyanophenyl)ethylcarbamic acid?
2-(4-cyanophenyl)ethylcarbamic acid has a molecular weight of 190.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)ethylcarbamic acid is sourced from PubChem (CID 67243316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).