N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide

C9H11NO — CID 142950097

IUPACN-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide
SMILESC#C/C(=C\C/C=C\C)NC=O
InChIInChI=1S/C9H11NO/c1-3-5-6-7-9(4-2)10-8-11/h2-3,5,7-8H,6H2,1H3,(H,10,11)/b5-3-,9-7+
InChIKeyXQGKAEOGHQIXBH-AACIIYHXSA-N
MW149.19 g/mol
LogP1.22
Rot. Bonds4

About N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide

N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide (PubChem CID 142950097) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide.

Molecular Properties

Compound NameN-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide
PubChem CID142950097
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide
SMILESC#C/C(=C\C/C=C\C)NC=O
InChIInChI=1S/C9H11NO/c1-3-5-6-7-9(4-2)10-8-11/h2-3,5,7-8H,6H2,1H3,(H,10,11)/b5-3-,9-7+
InChIKeyXQGKAEOGHQIXBH-AACIIYHXSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-cyanoprop-1-enyl]formamide
CID 21160166
N-[(2Z,5E)-hepta-2,5-dien-2-yl]methanethioamide
CID 138509423
3-ethenylocta-1,3,6-triene
CID 151118593
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
hepta-2,5-diene;rhodium
CID 159015179
(2Z,5E)-6-fluoroocta-2,5-diene
CID 142845543
N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]formamide
CID 136593314
N-[(Z)-hept-3-en-4-yl]formamide
CID 55300804
8-methylnona-2,4,7-triene
CID 152746418
N-[(E)-1-fluorobut-2-en-2-yl]formamide
CID 143269554
(2Z)-6-ethoxyocta-2,5-diene
CID 143636508
(Z)-N-formylbut-2-enamide;3-methylbutan-1-ol
CID 171813190

Frequently Asked Questions

What is the IUPAC name of N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide?
The IUPAC name of N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide (CID 142950097) is N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide.
What is the SMILES notation for N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide?
The canonical SMILES for N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide is C#C/C(=C\C/C=C\C)NC=O.
What is the InChIKey of N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide?
The InChIKey is XQGKAEOGHQIXBH-AACIIYHXSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-5-6-7-9(4-2)10-8-11/h2-3,5,7-8H,6H2,1H3,(H,10,11)/b5-3-,9-7+.
What are the key properties of N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide?
N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide has a molecular weight of 149.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide is sourced from PubChem (CID 142950097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).