(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate

C14H17NO2 — CID 171829484

IUPAC(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
SMILESC=C(C)c1ccccc1OC(=O)N1CCCC1
InChIInChI=1S/C14H17NO2/c1-11(2)12-7-3-4-8-13(12)17-14(16)15-9-5-6-10-15/h3-4,7-8H,1,5-6,9-10H2,2H3
InChIKeyYYALNCPPFZKDOA-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.31
Rot. Bonds2

About (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate

(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate (PubChem CID 171829484) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
PubChem CID171829484
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
SMILESC=C(C)c1ccccc1OC(=O)N1CCCC1
InChIInChI=1S/C14H17NO2/c1-11(2)12-7-3-4-8-13(12)17-14(16)15-9-5-6-10-15/h3-4,7-8H,1,5-6,9-10H2,2H3
InChIKeyYYALNCPPFZKDOA-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-prop-1-en-2-ylphenyl) N-propan-2-ylcarbamate
CID 175099692
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
CID 142555031
[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl] piperazine-1-carboxylate
CID 90865323
(2-methylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819303
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357
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
[2-(pyrrolidine-1-carbonyl)phenyl] 3-sulfanylpropanoate
CID 57178840
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide
CID 13258794

Frequently Asked Questions

What is the IUPAC name of (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate?
The IUPAC name of (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate (CID 171829484) is (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate?
The canonical SMILES for (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate is C=C(C)c1ccccc1OC(=O)N1CCCC1.
What is the InChIKey of (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate?
The InChIKey is YYALNCPPFZKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(2)12-7-3-4-8-13(12)17-14(16)15-9-5-6-10-15/h3-4,7-8H,1,5-6,9-10H2,2H3.
What are the key properties of (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate?
(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate has a molecular weight of 231.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 171829484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).