N-methyl-N-pent-1-en-2-ylformamide

C7H13NO — CID 142822961

IUPACN-methyl-N-pent-1-en-2-ylformamide
SMILESC=C(CCC)N(C)C=O
InChIInChI=1S/C7H13NO/c1-4-5-7(2)8(3)6-9/h6H,2,4-5H2,1,3H3
InChIKeyUEQWCCAIUKYPSU-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.39
Rot. Bonds4

About N-methyl-N-pent-1-en-2-ylformamide

N-methyl-N-pent-1-en-2-ylformamide (PubChem CID 142822961) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-N-pent-1-en-2-ylformamide.

Molecular Properties

Compound NameN-methyl-N-pent-1-en-2-ylformamide
PubChem CID142822961
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-methyl-N-pent-1-en-2-ylformamide
SMILESC=C(CCC)N(C)C=O
InChIInChI=1S/C7H13NO/c1-4-5-7(2)8(3)6-9/h6H,2,4-5H2,1,3H3
InChIKeyUEQWCCAIUKYPSU-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pent-1-en-2-ylformamide?
The IUPAC name of N-methyl-N-pent-1-en-2-ylformamide (CID 142822961) is N-methyl-N-pent-1-en-2-ylformamide.
What is the SMILES notation for N-methyl-N-pent-1-en-2-ylformamide?
The canonical SMILES for N-methyl-N-pent-1-en-2-ylformamide is C=C(CCC)N(C)C=O.
What is the InChIKey of N-methyl-N-pent-1-en-2-ylformamide?
The InChIKey is UEQWCCAIUKYPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(2)8(3)6-9/h6H,2,4-5H2,1,3H3.
What are the key properties of N-methyl-N-pent-1-en-2-ylformamide?
N-methyl-N-pent-1-en-2-ylformamide has a molecular weight of 127.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-1-en-2-ylformamide is sourced from PubChem (CID 142822961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).