[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate

C11H21NO2 — CID 12901919

IUPAC[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C[C@H](C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-10H,1H2,2-6H3/t10-/m0/s1
InChIKeyRFUAEPDFSHCPNZ-JTQLQIEISA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds4

About [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate

[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 12901919) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
PubChem CID12901919
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C[C@H](C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-10H,1H2,2-6H3/t10-/m0/s1
InChIKeyRFUAEPDFSHCPNZ-JTQLQIEISA-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

[(2R)-but-3-en-2-yl] acetate
CID 11378468
[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 13329873
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
but-3-en-2-yl ethyl carbonate
CID 11137281
but-3-en-2-yl 2-acetylbut-2-enoate
CID 71427747
4-O-but-3-en-2-yl 1-O-ethyl (Z)-but-2-enedioate
CID 141238011
4-but-3-en-2-yloxycarbonylbenzoic acid
CID 54316715
[(E)-1-phenylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 102052023
but-3-en-2-yl undec-10-enoate
CID 141164752

Frequently Asked Questions

What is the IUPAC name of [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate (CID 12901919) is [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate is C=C[C@H](C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is RFUAEPDFSHCPNZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-10(6)14-11(13)12(8(2)3)9(4)5/h7-10H,1H2,2-6H3/t10-/m0/s1.
What are the key properties of [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
[(2S)-but-3-en-2-yl] 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 [(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 12901919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).