methyl N-(1-phenylbut-1-enyl)carbamate

C12H15NO2 — CID 131886313

IUPACmethyl N-(1-phenylbut-1-enyl)carbamate
SMILESCCC=C(NC(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-7-11(13-12(14)15-2)10-8-5-4-6-9-10/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyPGEIKQJQIIHOGZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.79
Rot. Bonds3

About methyl N-(1-phenylbut-1-enyl)carbamate

methyl N-(1-phenylbut-1-enyl)carbamate (PubChem CID 131886313) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl N-(1-phenylbut-1-enyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-phenylbut-1-enyl)carbamate
PubChem CID131886313
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl N-(1-phenylbut-1-enyl)carbamate
SMILESCCC=C(NC(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-7-11(13-12(14)15-2)10-8-5-4-6-9-10/h4-9H,3H2,1-2H3,(H,13,14)
InChIKeyPGEIKQJQIIHOGZ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxybut-1-enylbenzene
CID 69305429
1,1-dimethyl-2-[(E)-1-phenylbut-1-enyl]hydrazine
CID 101358658
(Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-5-enoic acid
CID 53301996
benzyl N-[(Z)-3-oxo-1-phenylbut-1-enyl]carbamate
CID 71620202
benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
CID 44603837
2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
3-phenylhex-3-en-2-one
CID 130637770
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate
CID 57388071

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-phenylbut-1-enyl)carbamate?
The IUPAC name of methyl N-(1-phenylbut-1-enyl)carbamate (CID 131886313) is methyl N-(1-phenylbut-1-enyl)carbamate.
What is the SMILES notation for methyl N-(1-phenylbut-1-enyl)carbamate?
The canonical SMILES for methyl N-(1-phenylbut-1-enyl)carbamate is CCC=C(NC(=O)OC)c1ccccc1.
What is the InChIKey of methyl N-(1-phenylbut-1-enyl)carbamate?
The InChIKey is PGEIKQJQIIHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-11(13-12(14)15-2)10-8-5-4-6-9-10/h4-9H,3H2,1-2H3,(H,13,14).
What are the key properties of methyl N-(1-phenylbut-1-enyl)carbamate?
methyl N-(1-phenylbut-1-enyl)carbamate has a molecular weight of 205.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-phenylbut-1-enyl)carbamate is sourced from PubChem (CID 131886313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).