(2-prop-2-enoxyphenyl) N-methylcarbamate

C11H13NO3 — CID 19983

IUPAC(2-prop-2-enoxyphenyl) N-methylcarbamate
SMILESC=CCOc1ccccc1OC(=O)NC
InChIInChI=1S/C11H13NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyRRCXOIBMSKRASZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.97
Rot. Bonds4

About (2-prop-2-enoxyphenyl) N-methylcarbamate

(2-prop-2-enoxyphenyl) N-methylcarbamate (PubChem CID 19983) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2-prop-2-enoxyphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-prop-2-enoxyphenyl) N-methylcarbamate
PubChem CID19983
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2-prop-2-enoxyphenyl) N-methylcarbamate
SMILESC=CCOc1ccccc1OC(=O)NC
InChIInChI=1S/C11H13NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyRRCXOIBMSKRASZ-UHFFFAOYSA-N
XLogP1.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-prop-2-enoxyphenyl) N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815
naphthalen-1-yl N-methylcarbamate
CID 23447097
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid
CID 82043574
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
[2-(methylcarbamoyloxy)benzoyl] 2-(methylcarbamoyloxy)benzenecarboperoxoate
CID 53245201
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
CID 23621979

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enoxyphenyl) N-methylcarbamate?
The IUPAC name of (2-prop-2-enoxyphenyl) N-methylcarbamate (CID 19983) is (2-prop-2-enoxyphenyl) N-methylcarbamate.
What is the SMILES notation for (2-prop-2-enoxyphenyl) N-methylcarbamate?
The canonical SMILES for (2-prop-2-enoxyphenyl) N-methylcarbamate is C=CCOc1ccccc1OC(=O)NC.
What is the InChIKey of (2-prop-2-enoxyphenyl) N-methylcarbamate?
The InChIKey is RRCXOIBMSKRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-8-14-9-6-4-5-7-10(9)15-11(13)12-2/h3-7H,1,8H2,2H3,(H,12,13).
What are the key properties of (2-prop-2-enoxyphenyl) N-methylcarbamate?
(2-prop-2-enoxyphenyl) N-methylcarbamate has a molecular weight of 207.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enoxyphenyl) N-methylcarbamate is sourced from PubChem (CID 19983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).