(2-but-1-enylphenyl)carbamic acid

C11H13NO2 — CID 163942827

IUPAC(2-but-1-enylphenyl)carbamic acid
SMILESCCC=Cc1ccccc1NC(=O)O
InChIInChI=1S/C11H13NO2/c1-2-3-6-9-7-4-5-8-10(9)12-11(13)14/h3-8,12H,2H2,1H3,(H,13,14)
InChIKeyRSMVGVMTBIIJLM-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.20
Rot. Bonds3

About (2-but-1-enylphenyl)carbamic acid

(2-but-1-enylphenyl)carbamic acid (PubChem CID 163942827) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-but-1-enylphenyl)carbamic acid.

Molecular Properties

Compound Name(2-but-1-enylphenyl)carbamic acid
PubChem CID163942827
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2-but-1-enylphenyl)carbamic acid
SMILESCCC=Cc1ccccc1NC(=O)O
InChIInChI=1S/C11H13NO2/c1-2-3-6-9-7-4-5-8-10(9)12-11(13)14/h3-8,12H,2H2,1H3,(H,13,14)
InChIKeyRSMVGVMTBIIJLM-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-but-1-enylbenzoic acid
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1,2-bis(but-1-enyl)benzene
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N-[2-[(E)-hex-1-enyl]phenyl]butanamide
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ethyl 4-(2-acetamidophenyl)but-3-enoate
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1-[2-(3-hydroxyprop-1-enyl)phenyl]-3-methylurea
CID 77340380
methyl 4-[2-(carbamothioylamino)phenyl]but-3-enoate
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ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
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3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741
2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (2-but-1-enylphenyl)carbamic acid?
The IUPAC name of (2-but-1-enylphenyl)carbamic acid (CID 163942827) is (2-but-1-enylphenyl)carbamic acid.
What is the SMILES notation for (2-but-1-enylphenyl)carbamic acid?
The canonical SMILES for (2-but-1-enylphenyl)carbamic acid is CCC=Cc1ccccc1NC(=O)O.
What is the InChIKey of (2-but-1-enylphenyl)carbamic acid?
The InChIKey is RSMVGVMTBIIJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-6-9-7-4-5-8-10(9)12-11(13)14/h3-8,12H,2H2,1H3,(H,13,14).
What are the key properties of (2-but-1-enylphenyl)carbamic acid?
(2-but-1-enylphenyl)carbamic acid has a molecular weight of 191.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-1-enylphenyl)carbamic acid is sourced from PubChem (CID 163942827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).