N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide

C8H13NO — CID 89214733

IUPACN-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide
SMILESC/C=C\C(=C/CC)NC=O
InChIInChI=1S/C8H13NO/c1-3-5-8(6-4-2)9-7-10/h3,5-7H,4H2,1-2H3,(H,9,10)/b5-3-,8-6+
InChIKeyHRURDYKRKHJUKR-CUKJDEOPSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds4

About N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide

N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide (PubChem CID 89214733) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide.

Molecular Properties

Compound NameN-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide
PubChem CID89214733
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide
SMILESC/C=C\C(=C/CC)NC=O
InChIInChI=1S/C8H13NO/c1-3-5-8(6-4-2)9-7-10/h3,5-7H,4H2,1-2H3,(H,9,10)/b5-3-,8-6+
InChIKeyHRURDYKRKHJUKR-CUKJDEOPSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.60
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-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide?
The IUPAC name of N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide (CID 89214733) is N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide.
What is the SMILES notation for N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide?
The canonical SMILES for N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide is C/C=C\C(=C/CC)NC=O.
What is the InChIKey of N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide?
The InChIKey is HRURDYKRKHJUKR-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8(6-4-2)9-7-10/h3,5-7H,4H2,1-2H3,(H,9,10)/b5-3-,8-6+.
What are the key properties of N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide?
N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide has a molecular weight of 139.20 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide is sourced from PubChem (CID 89214733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).