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

C12H23NO2 — CID 13459241

IUPAC[(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/[C@H](C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-11(6)15-12(14)13(9(2)3)10(4)5/h7-11H,1-6H3/b8-7+/t11-/m0/s1
InChIKeyYEBXDUCXILCUSA-AEZGRPFRSA-N
MW213.32 g/mol
LogP3.21
Rot. Bonds4

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

[(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 13459241) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
PubChem CID13459241
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/[C@H](C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-11(6)15-12(14)13(9(2)3)10(4)5/h7-11H,1-6H3/b8-7+/t11-/m0/s1
InChIKeyYEBXDUCXILCUSA-AEZGRPFRSA-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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Frequently Asked Questions

What is the IUPAC name of [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate (CID 13459241) is [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate is C/C=C/[C@H](C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is YEBXDUCXILCUSA-AEZGRPFRSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-8-11(6)15-12(14)13(9(2)3)10(4)5/h7-11H,1-6H3/b8-7+/t11-/m0/s1.
What are the key properties of [(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
[(E,2S)-pent-3-en-2-yl] 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,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 13459241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).