N-(2-methylpent-2-enyl)formamide

C7H13NO — CID 123382698

IUPACN-(2-methylpent-2-enyl)formamide
SMILESCCC=C(C)CNC=O
InChIInChI=1S/C7H13NO/c1-3-4-7(2)5-8-6-9/h4,6H,3,5H2,1-2H3,(H,8,9)
InChIKeyWSCQMUOIYCYNHJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds4

About N-(2-methylpent-2-enyl)formamide

N-(2-methylpent-2-enyl)formamide (PubChem CID 123382698) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(2-methylpent-2-enyl)formamide.

Molecular Properties

Compound NameN-(2-methylpent-2-enyl)formamide
PubChem CID123382698
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(2-methylpent-2-enyl)formamide
SMILESCCC=C(C)CNC=O
InChIInChI=1S/C7H13NO/c1-3-4-7(2)5-8-6-9/h4,6H,3,5H2,1-2H3,(H,8,9)
InChIKeyWSCQMUOIYCYNHJ-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpent-2-enyl)formamide?
The IUPAC name of N-(2-methylpent-2-enyl)formamide (CID 123382698) is N-(2-methylpent-2-enyl)formamide.
What is the SMILES notation for N-(2-methylpent-2-enyl)formamide?
The canonical SMILES for N-(2-methylpent-2-enyl)formamide is CCC=C(C)CNC=O.
What is the InChIKey of N-(2-methylpent-2-enyl)formamide?
The InChIKey is WSCQMUOIYCYNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-7(2)5-8-6-9/h4,6H,3,5H2,1-2H3,(H,8,9).
What are the key properties of N-(2-methylpent-2-enyl)formamide?
N-(2-methylpent-2-enyl)formamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpent-2-enyl)formamide is sourced from PubChem (CID 123382698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).