benzyl N-[(Z)-pent-2-en-3-yl]carbamate

C13H17NO2 — CID 58839421

IUPACbenzyl N-[(Z)-pent-2-en-3-yl]carbamate
SMILESC/C=C(/CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-12(4-2)14-13(15)16-10-11-8-6-5-7-9-11/h3,5-9H,4,10H2,1-2H3,(H,14,15)/b12-3-
InChIKeyFFVUVVMAXZEKBG-BASWHVEKSA-N
MW219.28 g/mol
LogP3.23
Rot. Bonds4

About benzyl N-[(Z)-pent-2-en-3-yl]carbamate

benzyl N-[(Z)-pent-2-en-3-yl]carbamate (PubChem CID 58839421) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is benzyl N-[(Z)-pent-2-en-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(Z)-pent-2-en-3-yl]carbamate
PubChem CID58839421
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namebenzyl N-[(Z)-pent-2-en-3-yl]carbamate
SMILESC/C=C(/CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-12(4-2)14-13(15)16-10-11-8-6-5-7-9-11/h3,5-9H,4,10H2,1-2H3,(H,14,15)/b12-3-
InChIKeyFFVUVVMAXZEKBG-BASWHVEKSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 12136
CID 12136
CID 562265
CID 562265
CID 10263004
CID 10263004
CID 13196227
CID 13196227
CID 13196229
CID 13196229
CID 562279
CID 562279
CID 14568365
CID 14568365
CID 11020511
CID 11020511
CID 38369
CID 38369
CID 52366
CID 52366
CID 2794257
CID 2794257
CID 10931982
CID 10931982

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(Z)-pent-2-en-3-yl]carbamate?
The IUPAC name of benzyl N-[(Z)-pent-2-en-3-yl]carbamate (CID 58839421) is benzyl N-[(Z)-pent-2-en-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(Z)-pent-2-en-3-yl]carbamate?
The canonical SMILES for benzyl N-[(Z)-pent-2-en-3-yl]carbamate is C/C=C(/CC)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(Z)-pent-2-en-3-yl]carbamate?
The InChIKey is FFVUVVMAXZEKBG-BASWHVEKSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-12(4-2)14-13(15)16-10-11-8-6-5-7-9-11/h3,5-9H,4,10H2,1-2H3,(H,14,15)/b12-3-.
What are the key properties of benzyl N-[(Z)-pent-2-en-3-yl]carbamate?
benzyl N-[(Z)-pent-2-en-3-yl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(Z)-pent-2-en-3-yl]carbamate is sourced from PubChem (CID 58839421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).