(3-hydroxyphenyl)-prop-2-enylcarbamic acid

C10H11NO3 — CID 70559245

IUPAC(3-hydroxyphenyl)-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H11NO3/c1-2-6-11(10(13)14)8-4-3-5-9(12)7-8/h2-5,7,12H,1,6H2,(H,13,14)
InChIKeyFPGCHJSHYNKSOI-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.06
Rot. Bonds3

About (3-hydroxyphenyl)-prop-2-enylcarbamic acid

(3-hydroxyphenyl)-prop-2-enylcarbamic acid (PubChem CID 70559245) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3-hydroxyphenyl)-prop-2-enylcarbamic acid.

Molecular Properties

Compound Name(3-hydroxyphenyl)-prop-2-enylcarbamic acid
PubChem CID70559245
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3-hydroxyphenyl)-prop-2-enylcarbamic acid
SMILESC=CCN(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C10H11NO3/c1-2-6-11(10(13)14)8-4-3-5-9(12)7-8/h2-5,7,12H,1,6H2,(H,13,14)
InChIKeyFPGCHJSHYNKSOI-UHFFFAOYSA-N
XLogP2.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
N-(3-hydroxyphenyl)-3,4,5-trimethoxy-N-prop-2-enylbenzamide
CID 21204736
2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide
CID 107734862
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
3-methyl-N-phenyl-N-prop-2-enylbenzamide
CID 78794859
4-chlorobut-2-enyl-(3-chlorophenyl)carbamic acid
CID 70519545
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-prop-2-enylcarbamic acid?
The IUPAC name of (3-hydroxyphenyl)-prop-2-enylcarbamic acid (CID 70559245) is (3-hydroxyphenyl)-prop-2-enylcarbamic acid.
What is the SMILES notation for (3-hydroxyphenyl)-prop-2-enylcarbamic acid?
The canonical SMILES for (3-hydroxyphenyl)-prop-2-enylcarbamic acid is C=CCN(C(=O)O)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-prop-2-enylcarbamic acid?
The InChIKey is FPGCHJSHYNKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-6-11(10(13)14)8-4-3-5-9(12)7-8/h2-5,7,12H,1,6H2,(H,13,14).
What are the key properties of (3-hydroxyphenyl)-prop-2-enylcarbamic acid?
(3-hydroxyphenyl)-prop-2-enylcarbamic acid has a molecular weight of 193.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-prop-2-enylcarbamic acid is sourced from PubChem (CID 70559245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).