N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide

C9H13NO — CID 130455751

IUPACN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide
SMILESC=C/C=C\C(=C/C)CNC=O
InChIInChI=1S/C9H13NO/c1-3-5-6-9(4-2)7-10-8-11/h3-6,8H,1,7H2,2H3,(H,10,11)/b6-5-,9-4+
InChIKeyQJNBYJJGFJXQFM-CXBDEZGUSA-N
MW151.21 g/mol
LogP1.42
Rot. Bonds5

About N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide (PubChem CID 130455751) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide
PubChem CID130455751
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide
SMILESC=C/C=C\C(=C/C)CNC=O
InChIInChI=1S/C9H13NO/c1-3-5-6-9(4-2)7-10-8-11/h3-6,8H,1,7H2,2H3,(H,10,11)/b6-5-,9-4+
InChIKeyQJNBYJJGFJXQFM-CXBDEZGUSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide?
The IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide (CID 130455751) is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide.
What is the SMILES notation for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide?
The canonical SMILES for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide is C=C/C=C\C(=C/C)CNC=O.
What is the InChIKey of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide?
The InChIKey is QJNBYJJGFJXQFM-CXBDEZGUSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-6-9(4-2)7-10-8-11/h3-6,8H,1,7H2,2H3,(H,10,11)/b6-5-,9-4+.
What are the key properties of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide?
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide has a molecular weight of 151.21 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]formamide is sourced from PubChem (CID 130455751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).