N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide

C7H11NO2 — CID 89354713

IUPACN-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide
SMILESC/C=C(O)\C=C/N(C)C=O
InChIInChI=1S/C7H11NO2/c1-3-7(10)4-5-8(2)6-9/h3-6,10H,1-2H3/b5-4-,7-3+
InChIKeySOZQSOCJLDZKKR-SBYNAHCQSA-N
MW141.17 g/mol
LogP1.05
Rot. Bonds3

About N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide

N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide (PubChem CID 89354713) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide
PubChem CID89354713
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide
SMILESC/C=C(O)\C=C/N(C)C=O
InChIInChI=1S/C7H11NO2/c1-3-7(10)4-5-8(2)6-9/h3-6,10H,1-2H3/b5-4-,7-3+
InChIKeySOZQSOCJLDZKKR-SBYNAHCQSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide?
The IUPAC name of N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide (CID 89354713) is N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide.
What is the SMILES notation for N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide?
The canonical SMILES for N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide is C/C=C(O)\C=C/N(C)C=O.
What is the InChIKey of N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide?
The InChIKey is SOZQSOCJLDZKKR-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-7(10)4-5-8(2)6-9/h3-6,10H,1-2H3/b5-4-,7-3+.
What are the key properties of N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide?
N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide has a molecular weight of 141.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide is sourced from PubChem (CID 89354713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).