N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide

C8H13NO — CID 167513488

IUPACN-methyl-N-(3-methylidenepent-1-en-2-yl)formamide
SMILESC=C(CC)C(=C)N(C)C=O
InChIInChI=1S/C8H13NO/c1-5-7(2)8(3)9(4)6-10/h6H,2-3,5H2,1,4H3
InChIKeySQAVATVNISYUCL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.55
Rot. Bonds4

About N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide

N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide (PubChem CID 167513488) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylidenepent-1-en-2-yl)formamide
PubChem CID167513488
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-methyl-N-(3-methylidenepent-1-en-2-yl)formamide
SMILESC=C(CC)C(=C)N(C)C=O
InChIInChI=1S/C8H13NO/c1-5-7(2)8(3)9(4)6-10/h6H,2-3,5H2,1,4H3
InChIKeySQAVATVNISYUCL-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-methylidenebutanamide
CID 87072562
N-hydroxy-N-methyl-2-methylidenebutanamide
CID 22624762
N-[(Z)-but-1-enyl]-N-methylpropanamide
CID 142943923
N-(1-fluoroethenyl)-N-methylbut-1-en-2-amine
CID 144946153
N-formyl-N-hydroxypropanamide
CID 88931883
2-ethoxy-N-formyl-N-methylacetamide
CID 174934557
(Z)-5-methylidenehept-3-en-4-amine
CID 162685549
N-but-1-en-2-yl-N-methylpropanamide
CID 59841328
N-formyl-N,3-dimethylpentanamide
CID 142974327
N-(dimethylcarbamoselenoyl)-N-methylformamide
CID 59108194
N-(dimethylamino)-N-ethylformamide
CID 54127610
potassium 2-methylidenebutanoate
CID 87611079

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide?
The IUPAC name of N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide (CID 167513488) is N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide.
What is the SMILES notation for N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide?
The canonical SMILES for N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide is C=C(CC)C(=C)N(C)C=O.
What is the InChIKey of N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide?
The InChIKey is SQAVATVNISYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-7(2)8(3)9(4)6-10/h6H,2-3,5H2,1,4H3.
What are the key properties of N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide?
N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide has a molecular weight of 139.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylidenepent-1-en-2-yl)formamide is sourced from PubChem (CID 167513488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).