prop-2-enyl N,N-di(propan-2-yl)carbamate

C10H19NO2 — CID 11275447

IUPACprop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-7-13-10(12)11(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyDETMUFNBBFJUHL-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.43
Rot. Bonds4

About prop-2-enyl N,N-di(propan-2-yl)carbamate

prop-2-enyl N,N-di(propan-2-yl)carbamate (PubChem CID 11275447) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is prop-2-enyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N,N-di(propan-2-yl)carbamate
PubChem CID11275447
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameprop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-7-13-10(12)11(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3
InChIKeyDETMUFNBBFJUHL-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.43
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
Carbamic acid, dibutyl-, 2-propenyl ester
CID 225297
[(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
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949
lithium [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
CID 134889525
[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 135046717
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(dimethylazanide);titanium(4+)
CID 135046778
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;trichlorotitanium(1+)
CID 135082536

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of prop-2-enyl N,N-di(propan-2-yl)carbamate (CID 11275447) is prop-2-enyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for prop-2-enyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for prop-2-enyl N,N-di(propan-2-yl)carbamate is C=CCOC(=O)N(C(C)C)C(C)C.
What is the InChIKey of prop-2-enyl N,N-di(propan-2-yl)carbamate?
The InChIKey is DETMUFNBBFJUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-7-13-10(12)11(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3.
What are the key properties of prop-2-enyl N,N-di(propan-2-yl)carbamate?
prop-2-enyl N,N-di(propan-2-yl)carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11275447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).