N-hexa-1,5-dien-3-ylformamide

C7H11NO — CID 90777860

IUPACN-hexa-1,5-dien-3-ylformamide
SMILESC=CCC(C=C)NC=O
InChIInChI=1S/C7H11NO/c1-3-5-7(4-2)8-6-9/h3-4,6-7H,1-2,5H2,(H,8,9)
InChIKeyIGRTWJXAULNCNZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.86
Rot. Bonds5

About N-hexa-1,5-dien-3-ylformamide

N-hexa-1,5-dien-3-ylformamide (PubChem CID 90777860) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-hexa-1,5-dien-3-ylformamide.

Molecular Properties

Compound NameN-hexa-1,5-dien-3-ylformamide
PubChem CID90777860
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-hexa-1,5-dien-3-ylformamide
SMILESC=CCC(C=C)NC=O
InChIInChI=1S/C7H11NO/c1-3-5-7(4-2)8-6-9/h3-4,6-7H,1-2,5H2,(H,8,9)
InChIKeyIGRTWJXAULNCNZ-UHFFFAOYSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.86
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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Related Compounds

N-(5,5,5-trifluoropent-1-en-3-yl)formamide
CID 118052165
N-hexa-1,5-dien-3-ylbut-3-enamide
CID 173296191
(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid
CID 89064359
methyl N-ethyl-N-pent-4-en-2-ylcarbamate
CID 11816123
methanol;molecular hydrogen;N-[(2S)-1-oxopent-4-en-2-yl]acetamide
CID 143137102
2-formamidobut-3-enamide
CID 87210952
(2S)-2-aminopent-4-enal
CID 160694428
3-hexa-1,5-dien-3-yloxyhexa-1,5-diene;hydrochloride
CID 174646215
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
hexa-1,5-dien-3-olate
CID 101095679
3-ethenylhex-5-en-2-one
CID 529432
hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,5-dien-3-ylformamide?
The IUPAC name of N-hexa-1,5-dien-3-ylformamide (CID 90777860) is N-hexa-1,5-dien-3-ylformamide.
What is the SMILES notation for N-hexa-1,5-dien-3-ylformamide?
The canonical SMILES for N-hexa-1,5-dien-3-ylformamide is C=CCC(C=C)NC=O.
What is the InChIKey of N-hexa-1,5-dien-3-ylformamide?
The InChIKey is IGRTWJXAULNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-7(4-2)8-6-9/h3-4,6-7H,1-2,5H2,(H,8,9).
What are the key properties of N-hexa-1,5-dien-3-ylformamide?
N-hexa-1,5-dien-3-ylformamide has a molecular weight of 125.17 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,5-dien-3-ylformamide is sourced from PubChem (CID 90777860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).