(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate

C13H17NO2 — CID 175099692

IUPAC(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate
SMILESC=C(C)c1ccccc1OC(=O)NC(C)C
InChIInChI=1S/C13H17NO2/c1-9(2)11-7-5-6-8-12(11)16-13(15)14-10(3)4/h5-8,10H,1H2,2-4H3,(H,14,15)
InChIKeyWQXHJTUTHIJODW-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.22
Rot. Bonds3

About (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate

(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate (PubChem CID 175099692) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate
PubChem CID175099692
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate
SMILESC=C(C)c1ccccc1OC(=O)NC(C)C
InChIInChI=1S/C13H17NO2/c1-9(2)11-7-5-6-8-12(11)16-13(15)14-10(3)4/h5-8,10H,1H2,2-4H3,(H,14,15)
InChIKeyWQXHJTUTHIJODW-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349
(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
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(2-nitrophenyl) N-propan-2-ylcarbamate
CID 11241573
[2-(2-phenylethynyl)phenyl] N-propan-2-ylcarbamate
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1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351436
(2-acetylphenyl) methyl carbonate
CID 14493761
2-acetyloxybenzoic acid;ethene
CID 67877309
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 70693146
2-(2-methoxyphenyl)-2-(prop-1-en-2-yloxycarbonylamino)acetic acid
CID 89206089

Frequently Asked Questions

What is the IUPAC name of (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate (CID 175099692) is (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate is C=C(C)c1ccccc1OC(=O)NC(C)C.
What is the InChIKey of (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate?
The InChIKey is WQXHJTUTHIJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)11-7-5-6-8-12(11)16-13(15)14-10(3)4/h5-8,10H,1H2,2-4H3,(H,14,15).
What are the key properties of (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate?
(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 175099692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).