butyl N,N-bis(prop-2-enyl)carbamate

C11H19NO2 — CID 57102502

IUPACbutyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCCCC
InChIInChI=1S/C11H19NO2/c1-4-7-10-14-11(13)12(8-5-2)9-6-3/h5-6H,2-4,7-10H2,1H3
InChIKeyGLRCBDQNESQYPT-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.60
Rot. Bonds7

About butyl N,N-bis(prop-2-enyl)carbamate

butyl N,N-bis(prop-2-enyl)carbamate (PubChem CID 57102502) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is butyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Namebutyl N,N-bis(prop-2-enyl)carbamate
PubChem CID57102502
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namebutyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCCCC
InChIInChI=1S/C11H19NO2/c1-4-7-10-14-11(13)12(8-5-2)9-6-3/h5-6H,2-4,7-10H2,1H3
InChIKeyGLRCBDQNESQYPT-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carbamic acid, diallyl-, ethyl ester
CID 143741
Diethyl-carbamic acid but-2-enyl ester
CID 6018985
tert-Butyl N,N-diallylcarbamate
CID 5107724
prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
Carbamic acid, dibutyl-, 2-propenyl ester
CID 225297
Propan-2-yl diprop-2-en-1-ylcarbamate
CID 240400
Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate
CID 247620
hex-5-enyl N,N-diethylcarbamate
CID 45103409
2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
CID 78983348
2,2,2-trifluoroethyl N-prop-2-enyl-N-propylcarbamate
CID 81818578
Ethyl ethyl(2-methylprop-2-en-1-yl)carbamate
CID 12597408
N-carbomethoxy diallyl amine
CID 4113533

Frequently Asked Questions

What is the IUPAC name of butyl N,N-bis(prop-2-enyl)carbamate?
The IUPAC name of butyl N,N-bis(prop-2-enyl)carbamate (CID 57102502) is butyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for butyl N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for butyl N,N-bis(prop-2-enyl)carbamate is C=CCN(CC=C)C(=O)OCCCC.
What is the InChIKey of butyl N,N-bis(prop-2-enyl)carbamate?
The InChIKey is GLRCBDQNESQYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-7-10-14-11(13)12(8-5-2)9-6-3/h5-6H,2-4,7-10H2,1H3.
What are the key properties of butyl N,N-bis(prop-2-enyl)carbamate?
butyl N,N-bis(prop-2-enyl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 57102502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).