phenyl N-methyl-N-prop-2-enylcarbamate

C11H13NO2 — CID 66595557

IUPACphenyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO2/c1-3-9-12(2)11(13)14-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyZYZFJGITOIYPMD-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.30
Rot. Bonds3

About phenyl N-methyl-N-prop-2-enylcarbamate

phenyl N-methyl-N-prop-2-enylcarbamate (PubChem CID 66595557) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is phenyl N-methyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-prop-2-enylcarbamate
PubChem CID66595557
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namephenyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO2/c1-3-9-12(2)11(13)14-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyZYZFJGITOIYPMD-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
CID 22245503
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381
phenyl N-butyl-N-methylcarbamate
CID 564973
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-ethenyl-N-phenylcarbamate
CID 154121806
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-prop-2-enylcarbamate
CID 3814252

Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-prop-2-enylcarbamate?
The IUPAC name of phenyl N-methyl-N-prop-2-enylcarbamate (CID 66595557) is phenyl N-methyl-N-prop-2-enylcarbamate.
What is the SMILES notation for phenyl N-methyl-N-prop-2-enylcarbamate?
The canonical SMILES for phenyl N-methyl-N-prop-2-enylcarbamate is C=CCN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-methyl-N-prop-2-enylcarbamate?
The InChIKey is ZYZFJGITOIYPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-9-12(2)11(13)14-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3.
What are the key properties of phenyl N-methyl-N-prop-2-enylcarbamate?
phenyl N-methyl-N-prop-2-enylcarbamate has a molecular weight of 191.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 66595557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).