(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate

C12H15NO2 — CID 129081148

IUPAC(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/NC(=O)OCc1cccc(C)c1
InChIInChI=1S/C12H15NO2/c1-3-7-13-12(14)15-9-11-6-4-5-10(2)8-11/h3-8H,9H2,1-2H3,(H,13,14)/b7-3+
InChIKeyNUMKPENXAJFLNA-XVNBXDOJSA-N
MW205.26 g/mol
LogP2.75
Rot. Bonds3

About (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate

(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate (PubChem CID 129081148) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate.

Molecular Properties

Compound Name(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate
PubChem CID129081148
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/NC(=O)OCc1cccc(C)c1
InChIInChI=1S/C12H15NO2/c1-3-7-13-12(14)15-9-11-6-4-5-10(2)8-11/h3-8H,9H2,1-2H3,(H,13,14)/b7-3+
InChIKeyNUMKPENXAJFLNA-XVNBXDOJSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methoxycarbonylamino]propanoic acid
CID 90066967
ethyl N-[(3-methylphenyl)methoxy]carbamate
CID 121006140
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
(3-methylphenyl)methyl 2-(methylamino)propanoate
CID 145274403
tert-butyl 3-[(3-methylphenyl)methoxycarbonylamino]propanoate
CID 146559295
2-[(3-methylphenyl)methoxy]-2-oxoethanesulfonic acid
CID 158070413
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
phenylmethoxycarbonylamino 3-methylbenzoate
CID 174511034
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
(3-methylphenyl)methyl N-methylethanimidate
CID 167446851
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
diethyl (Z)-2-hydroxy-3-[(3-methylphenyl)methoxy]but-2-enedioate
CID 156867970

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate?
The IUPAC name of (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate (CID 129081148) is (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate.
What is the SMILES notation for (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate?
The canonical SMILES for (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate is C/C=C/NC(=O)OCc1cccc(C)c1.
What is the InChIKey of (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate?
The InChIKey is NUMKPENXAJFLNA-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-13-12(14)15-9-11-6-4-5-10(2)8-11/h3-8H,9H2,1-2H3,(H,13,14)/b7-3+.
What are the key properties of (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate?
(3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate has a molecular weight of 205.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl N-[(E)-prop-1-enyl]carbamate is sourced from PubChem (CID 129081148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).