4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate

C13H25NO2 — CID 89075369

IUPAC4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate
SMILESC=C(CC(C)C)OC(=O)NC(C)CC(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)7-11(5)14-13(15)16-12(6)8-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyFOIKWSXRRIPVEV-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.71
Rot. Bonds6

About 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate

4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate (PubChem CID 89075369) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Name4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate
PubChem CID89075369
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate
SMILESC=C(CC(C)C)OC(=O)NC(C)CC(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)7-11(5)14-13(15)16-12(6)8-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyFOIKWSXRRIPVEV-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate?
The IUPAC name of 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate (CID 89075369) is 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate.
What is the SMILES notation for 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate?
The canonical SMILES for 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate is C=C(CC(C)C)OC(=O)NC(C)CC(C)C.
What is the InChIKey of 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate?
The InChIKey is FOIKWSXRRIPVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)7-11(5)14-13(15)16-12(6)8-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate?
4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate has a molecular weight of 227.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate is sourced from PubChem (CID 89075369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).