N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide

C9H13NO — CID 156731692

IUPACN-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
SMILESC=C/C=C(\C=C)CCNC=O
InChIInChI=1S/C9H13NO/c1-3-5-9(4-2)6-7-10-8-11/h3-5,8H,1-2,6-7H2,(H,10,11)/b9-5+
InChIKeyFZWIRXCNOGIEIY-WEVVVXLNSA-N
MW151.21 g/mol
LogP1.42
Rot. Bonds6

About N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide

N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide (PubChem CID 156731692) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
PubChem CID156731692
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
SMILESC=C/C=C(\C=C)CCNC=O
InChIInChI=1S/C9H13NO/c1-3-5-9(4-2)6-7-10-8-11/h3-5,8H,1-2,6-7H2,(H,10,11)/b9-5+
InChIKeyFZWIRXCNOGIEIY-WEVVVXLNSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
CID 154661209
methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
CID 154661224
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
CID 176918699
tert-butyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate;ethane
CID 177159912
4-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]ethyl]phenol
CID 145162117
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
CID 143006742
2-formamidoethyl prop-2-enoate
CID 18401312
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
2-prop-2-enylidenepentanedial
CID 88740289
(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
CID 89001510

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide?
The IUPAC name of N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide (CID 156731692) is N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide.
What is the SMILES notation for N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide?
The canonical SMILES for N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide is C=C/C=C(\C=C)CCNC=O.
What is the InChIKey of N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide?
The InChIKey is FZWIRXCNOGIEIY-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-9(4-2)6-7-10-8-11/h3-5,8H,1-2,6-7H2,(H,10,11)/b9-5+.
What are the key properties of N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide?
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide has a molecular weight of 151.21 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide is sourced from PubChem (CID 156731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).