[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate

C12H21NO2 — CID 15727159

IUPAC[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C/C(=C\C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H21NO2/c1-7-11(8-2)15-12(14)13(9(3)4)10(5)6/h7-10H,1H2,2-6H3/b11-8+
InChIKeyLZFDFMXWPLEIAH-DHZHZOJOSA-N
MW211.30 g/mol
LogP3.33
Rot. Bonds4

About [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate

[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 15727159) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
PubChem CID15727159
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C/C(=C\C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H21NO2/c1-7-11(8-2)15-12(14)13(9(3)4)10(5)6/h7-10H,1H2,2-6H3/b11-8+
InChIKeyLZFDFMXWPLEIAH-DHZHZOJOSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 12901919
3-propan-2-yloxypenta-1,3-diene
CID 123296318
[(4Z)-7-hydroxy-2,6,8,8-tetramethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631775
[(Z)-4-trimethylstannylpent-2-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 14492456
[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 13329873
methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 139781519
[(3E)-penta-1,3-dien-3-yl] formate
CID 142087020
(3E)-3-(difluoromethoxy)penta-1,3-diene
CID 143010384
2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
CID 91596847
2-penta-1,3-dien-3-yloxyacetic acid
CID 91026141
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905

Frequently Asked Questions

What is the IUPAC name of [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate (CID 15727159) is [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate is C=C/C(=C\C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is LZFDFMXWPLEIAH-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21NO2/c1-7-11(8-2)15-12(14)13(9(3)4)10(5)6/h7-10H,1H2,2-6H3/b11-8+.
What are the key properties of [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate?
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 211.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 15727159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).