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

C12H23NO2 — CID 135046717

IUPAC[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C(\C)COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-11(6)8-15-12(14)13(9(2)3)10(4)5/h7,9-10H,8H2,1-6H3/b11-7+
InChIKeyDLPSQQDROADCQK-YRNVUSSQSA-N
MW213.32 g/mol
LogP3.21
Rot. Bonds4

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

[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 135046717) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID135046717
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C(\C)COC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-11(6)8-15-12(14)13(9(2)3)10(4)5/h7,9-10H,8H2,1-6H3/b11-7+
InChIKeyDLPSQQDROADCQK-YRNVUSSQSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.21
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
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 10888910
[(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
[(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
2,3-dimethylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 135046394
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(dimethylazanide);titanium(4+)
CID 135046778
[(Z)-1-[bis(2-methylpropyl)alumanyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 135050708

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate (CID 135046717) is [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate is C/C=C(\C)COC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is DLPSQQDROADCQK-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-11(6)8-15-12(14)13(9(2)3)10(4)5/h7,9-10H,8H2,1-6H3/b11-7+.
What are the key properties of [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 135046717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).