benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate

C21H24N2O2 — CID 169472848

IUPACbenzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1N1CCCC1)OCc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-21(25-17-18-9-2-1-3-10-18)22-14-8-12-19-11-4-5-13-20(19)23-15-6-7-16-23/h1-5,8-13H,6-7,14-17H2,(H,22,24)
InChIKeyBYBCNJOOEDTPJA-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.23
Rot. Bonds6

About benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate (PubChem CID 169472848) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate
PubChem CID169472848
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Namebenzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1N1CCCC1)OCc1ccccc1
InChIInChI=1S/C21H24N2O2/c24-21(25-17-18-9-2-1-3-10-18)22-14-8-12-19-11-4-5-13-20(19)23-15-6-7-16-23/h1-5,8-13H,6-7,14-17H2,(H,22,24)
InChIKeyBYBCNJOOEDTPJA-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
CID 169472385
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
2-chloro-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471850
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
benzyl N-[3-[3-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enyl]carbamate
CID 169472409

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate (CID 169472848) is benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccccc1N1CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate?
The InChIKey is BYBCNJOOEDTPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(25-17-18-9-2-1-3-10-18)22-14-8-12-19-11-4-5-13-20(19)23-15-6-7-16-23/h1-5,8-13H,6-7,14-17H2,(H,22,24).
What are the key properties of benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate has a molecular weight of 336.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-pyrrolidin-1-ylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).