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

C12H21NO2 — CID 88848482

IUPACpentyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCCCCC
InChIInChI=1S/C12H21NO2/c1-4-7-8-11-15-12(14)13(9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3
InChIKeyGFARDEYJKBIOLF-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.99
Rot. Bonds8

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

pentyl N,N-bis(prop-2-enyl)carbamate (PubChem CID 88848482) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is pentyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Namepentyl N,N-bis(prop-2-enyl)carbamate
PubChem CID88848482
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namepentyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCCCCC
InChIInChI=1S/C12H21NO2/c1-4-7-8-11-15-12(14)13(9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3
InChIKeyGFARDEYJKBIOLF-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.99
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

octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
N-pentoxy-N-prop-2-enylacetamide
CID 88724314
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
pentyl N,N-dimethylcarbamate
CID 18534522
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000

Frequently Asked Questions

What is the IUPAC name of pentyl N,N-bis(prop-2-enyl)carbamate?
The IUPAC name of pentyl N,N-bis(prop-2-enyl)carbamate (CID 88848482) is pentyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for pentyl N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for pentyl N,N-bis(prop-2-enyl)carbamate is C=CCN(CC=C)C(=O)OCCCCC.
What is the InChIKey of pentyl N,N-bis(prop-2-enyl)carbamate?
The InChIKey is GFARDEYJKBIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-7-8-11-15-12(14)13(9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3.
What are the key properties of pentyl N,N-bis(prop-2-enyl)carbamate?
pentyl N,N-bis(prop-2-enyl)carbamate has a molecular weight of 211.30 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N,N-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 88848482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).