3-phenylprop-1-en-2-ylcarbamic acid

C10H11NO2 — CID 130423849

IUPAC3-phenylprop-1-en-2-ylcarbamic acid
SMILESC=C(Cc1ccccc1)NC(=O)O
InChIInChI=1S/C10H11NO2/c1-8(11-10(12)13)7-9-5-3-2-4-6-9/h2-6,11H,1,7H2,(H,12,13)
InChIKeyCEDRTWSKIOASME-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.01
Rot. Bonds3

About 3-phenylprop-1-en-2-ylcarbamic acid

3-phenylprop-1-en-2-ylcarbamic acid (PubChem CID 130423849) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-phenylprop-1-en-2-ylcarbamic acid.

Molecular Properties

Compound Name3-phenylprop-1-en-2-ylcarbamic acid
PubChem CID130423849
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-phenylprop-1-en-2-ylcarbamic acid
SMILESC=C(Cc1ccccc1)NC(=O)O
InChIInChI=1S/C10H11NO2/c1-8(11-10(12)13)7-9-5-3-2-4-6-9/h2-6,11H,1,7H2,(H,12,13)
InChIKeyCEDRTWSKIOASME-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 143549548
methyl 2-benzylprop-2-enoate
CID 575761
tris(2-phenylacetic acid);rhodium
CID 11168112
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CID 54609410
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Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-1-en-2-ylcarbamic acid?
The IUPAC name of 3-phenylprop-1-en-2-ylcarbamic acid (CID 130423849) is 3-phenylprop-1-en-2-ylcarbamic acid.
What is the SMILES notation for 3-phenylprop-1-en-2-ylcarbamic acid?
The canonical SMILES for 3-phenylprop-1-en-2-ylcarbamic acid is C=C(Cc1ccccc1)NC(=O)O.
What is the InChIKey of 3-phenylprop-1-en-2-ylcarbamic acid?
The InChIKey is CEDRTWSKIOASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(11-10(12)13)7-9-5-3-2-4-6-9/h2-6,11H,1,7H2,(H,12,13).
What are the key properties of 3-phenylprop-1-en-2-ylcarbamic acid?
3-phenylprop-1-en-2-ylcarbamic acid has a molecular weight of 177.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-1-en-2-ylcarbamic acid is sourced from PubChem (CID 130423849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).