hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate

C12H21NO2 — CID 175987265

IUPAChepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate
SMILESCCC=CC=CCOC(=O)N(C)C(C)C
InChIInChI=1S/C12H21NO2/c1-5-6-7-8-9-10-15-12(14)13(4)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyYDKJSUYLVKYERK-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.99
Rot. Bonds5

About hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate

hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate (PubChem CID 175987265) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namehepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate
PubChem CID175987265
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Namehepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate
SMILESCCC=CC=CCOC(=O)N(C)C(C)C
InChIInChI=1S/C12H21NO2/c1-5-6-7-8-9-10-15-12(14)13(4)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyYDKJSUYLVKYERK-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-hepta-2,4-dienyl] carbamate
CID 125475387
[(2E,4E)-hepta-2,4-dienyl] (E)-2-methylbut-2-enoate
CID 91698107
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717705
(5E)-octa-3,5-diene
CID 173104147
[(2E,4Z)-hexa-2,4-dienyl] (2R)-2-chloropropanoate
CID 92527031
2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate
CID 118654590
(3E,5E)-octa-3,5-dienamide
CID 55289592
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
CID 155300738
ethyl hepta-2,4-dienoate
CID 54483010
4-methylpentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91717720
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717715

Frequently Asked Questions

What is the IUPAC name of hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate?
The IUPAC name of hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate (CID 175987265) is hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate.
What is the SMILES notation for hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate?
The canonical SMILES for hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate is CCC=CC=CCOC(=O)N(C)C(C)C.
What is the InChIKey of hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate?
The InChIKey is YDKJSUYLVKYERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-5-6-7-8-9-10-15-12(14)13(4)11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate?
hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate has a molecular weight of 211.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-2,4-dienyl N-methyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 175987265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).