methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate

C12H15NO2 — CID 23402332

IUPACmethyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate
SMILESC=C(C)c1cccc(NC(=O)OC)c1C
InChIInChI=1S/C12H15NO2/c1-8(2)10-6-5-7-11(9(10)3)13-12(14)15-4/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyNNBMOTXYEZIUKJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.21
Rot. Bonds2

About methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate

methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate (PubChem CID 23402332) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate
PubChem CID23402332
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate
SMILESC=C(C)c1cccc(NC(=O)OC)c1C
InChIInChI=1S/C12H15NO2/c1-8(2)10-6-5-7-11(9(10)3)13-12(14)15-4/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyNNBMOTXYEZIUKJ-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62947415
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
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CID 60731584
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
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methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
methyl 3-(2-chloropropanoylamino)-2-methylbenzoate
CID 43699222
prop-2-enyl 2-(methoxycarbonylamino)benzoate
CID 101058820
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate?
The IUPAC name of methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate (CID 23402332) is methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate.
What is the SMILES notation for methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate?
The canonical SMILES for methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate is C=C(C)c1cccc(NC(=O)OC)c1C.
What is the InChIKey of methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate?
The InChIKey is NNBMOTXYEZIUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)10-6-5-7-11(9(10)3)13-12(14)15-4/h5-7H,1H2,2-4H3,(H,13,14).
What are the key properties of methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate?
methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate has a molecular weight of 205.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyl-3-prop-1-en-2-ylphenyl)carbamate is sourced from PubChem (CID 23402332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).