N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide

C9H15NO — CID 145172102

IUPACN-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide
SMILESCC(C)=C/C(C)=C\N(C)C=O
InChIInChI=1S/C9H15NO/c1-8(2)5-9(3)6-10(4)7-11/h5-7H,1-4H3/b9-6-
InChIKeyMMZLPFGGMQPZAU-TWGQIWQCSA-N
MW153.22 g/mol
LogP1.94
Rot. Bonds3

About N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide

N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide (PubChem CID 145172102) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide
PubChem CID145172102
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide
SMILESCC(C)=C/C(C)=C\N(C)C=O
InChIInChI=1S/C9H15NO/c1-8(2)5-9(3)6-10(4)7-11/h5-7H,1-4H3/b9-6-
InChIKeyMMZLPFGGMQPZAU-TWGQIWQCSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
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-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide?
The IUPAC name of N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide (CID 145172102) is N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide.
What is the SMILES notation for N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide?
The canonical SMILES for N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide is CC(C)=C/C(C)=C\N(C)C=O.
What is the InChIKey of N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide?
The InChIKey is MMZLPFGGMQPZAU-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)5-9(3)6-10(4)7-11/h5-7H,1-4H3/b9-6-.
What are the key properties of N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide?
N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide has a molecular weight of 153.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-N-methylformamide is sourced from PubChem (CID 145172102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).