buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate

C11H19NO2 — CID 15727164

IUPACbuta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate
SMILESC=CC(=C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H19NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-9H,1,6H2,2-5H3
InChIKeyOJUMUIWXJFSBGO-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.94
Rot. Bonds4

About buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate

buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate (PubChem CID 15727164) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namebuta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate
PubChem CID15727164
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namebuta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate
SMILESC=CC(=C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H19NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-9H,1,6H2,2-5H3
InChIKeyOJUMUIWXJFSBGO-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.94
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

prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 10888910
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949
1-Methylallyl diisopropylcarbamate
CID 544118
[(3Z)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727158
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
buta-1,3-dien-2-yl N,N-diethylcarbamate
CID 13699791
1-ethoxybuta-1,3-dien-2-yl N,N-diethylcarbamate
CID 54130471
[(1Z)-1-ethoxybuta-1,3-dien-2-yl] N,N-diethylcarbamate
CID 88499220
[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate
CID 143885710
prop-2-enyl N-butan-2-yl-N-methylcarbamate
CID 164046046
[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 12901919

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate?
The IUPAC name of buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate (CID 15727164) is buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate is C=CC(=C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate?
The InChIKey is OJUMUIWXJFSBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-9H,1,6H2,2-5H3.
What are the key properties of buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate?
buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dien-2-yl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 15727164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).