N-(2-methylidenehex-3-enyl)formamide

C8H13NO — CID 123626890

IUPACN-(2-methylidenehex-3-enyl)formamide
SMILESC=C(C=CCC)CNC=O
InChIInChI=1S/C8H13NO/c1-3-4-5-8(2)6-9-7-10/h4-5,7H,2-3,6H2,1H3,(H,9,10)
InChIKeyUSAHOWWYZLLDAH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds5

About N-(2-methylidenehex-3-enyl)formamide

N-(2-methylidenehex-3-enyl)formamide (PubChem CID 123626890) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(2-methylidenehex-3-enyl)formamide.

Molecular Properties

Compound NameN-(2-methylidenehex-3-enyl)formamide
PubChem CID123626890
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(2-methylidenehex-3-enyl)formamide
SMILESC=C(C=CCC)CNC=O
InChIInChI=1S/C8H13NO/c1-3-4-5-8(2)6-9-7-10/h4-5,7H,2-3,6H2,1H3,(H,9,10)
InChIKeyUSAHOWWYZLLDAH-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
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-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
CID 142104797
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide
CID 143094181
N-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 143389094
N-[(2Z,4E)-2-ethenyl-3,5-difluorohexa-2,4-dienyl]formamide
CID 143428333

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenehex-3-enyl)formamide?
The IUPAC name of N-(2-methylidenehex-3-enyl)formamide (CID 123626890) is N-(2-methylidenehex-3-enyl)formamide.
What is the SMILES notation for N-(2-methylidenehex-3-enyl)formamide?
The canonical SMILES for N-(2-methylidenehex-3-enyl)formamide is C=C(C=CCC)CNC=O.
What is the InChIKey of N-(2-methylidenehex-3-enyl)formamide?
The InChIKey is USAHOWWYZLLDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-8(2)6-9-7-10/h4-5,7H,2-3,6H2,1H3,(H,9,10).
What are the key properties of N-(2-methylidenehex-3-enyl)formamide?
N-(2-methylidenehex-3-enyl)formamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenehex-3-enyl)formamide is sourced from PubChem (CID 123626890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).