[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate

C11H21NO2 — CID 10888910

IUPAC[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-14-11(13)12(9(2)3)10(4)5/h6-7,9-10H,8H2,1-5H3/b7-6+
InChIKeyKKQOADXIBVMQMT-VOTSOKGWSA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds4

About [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate

[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 10888910) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID10888910
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-14-11(13)12(9(2)3)10(4)5/h6-7,9-10H,8H2,1-5H3/b7-6+
InChIKeyKKQOADXIBVMQMT-VOTSOKGWSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl-carbamic acid but-2-enyl ester
CID 6018985
prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
Carbamic acid, dibutyl-, 2-propenyl ester
CID 225297
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(diethylazanide);titanium(4+)
CID 12768305
lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 12901922
3-methylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 12901923
lithium 3-methylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 12901924
[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
CID 13436546
[(2Z,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
CID 13436547
[(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 13459241
[(E)-1-[bis(2-methylpropyl)alumanyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 16695328
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate (CID 10888910) is [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate is C/C=C/COC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is KKQOADXIBVMQMT-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-8-14-11(13)12(9(2)3)10(4)5/h6-7,9-10H,8H2,1-5H3/b7-6+.
What are the key properties of [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate?
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10888910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).