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

C9H15NO — CID 166958378

IUPACN-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide
SMILESC/C=C\C(=C/N(C)C=O)CC
InChIInChI=1S/C9H15NO/c1-4-6-9(5-2)7-10(3)8-11/h4,6-8H,5H2,1-3H3/b6-4-,9-7-
InChIKeyGRZIXPVABJAXGJ-PJPBHMPJSA-N
MW153.22 g/mol
LogP1.94
Rot. Bonds4

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

N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide (PubChem CID 166958378) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide
PubChem CID166958378
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide
SMILESC/C=C\C(=C/N(C)C=O)CC
InChIInChI=1S/C9H15NO/c1-4-6-9(5-2)7-10(3)8-11/h4,6-8H,5H2,1-3H3/b6-4-,9-7-
InChIKeyGRZIXPVABJAXGJ-PJPBHMPJSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

N-methyl-N-(2-methylbut-1-enyl)formamide
CID 151285148
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(1Z,3Z)-2-ethyl-N-methylpenta-1,3-dien-1-amine
CID 144719096
(1Z)-2-ethylpenta-1,3-diene-1-sulfonyl chloride
CID 123215534
N-methyl-N-prop-1-enylformamide
CID 141076555
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
ethane;2-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]acetic acid
CID 143432503
N-[(1Z,3E)-3-hydroxypenta-1,3-dienyl]-N-methylformamide
CID 89354713
hexa-2,4-dienal;hex-4-en-3-one
CID 173273748

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide?
The IUPAC name of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide (CID 166958378) is N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide.
What is the SMILES notation for N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide?
The canonical SMILES for N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide is C/C=C\C(=C/N(C)C=O)CC.
What is the InChIKey of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide?
The InChIKey is GRZIXPVABJAXGJ-PJPBHMPJSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-9(5-2)7-10(3)8-11/h4,6-8H,5H2,1-3H3/b6-4-,9-7-.
What are the key properties of N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide?
N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide has a molecular weight of 153.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]-N-methylformamide is sourced from PubChem (CID 166958378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).