(Z)-hex-4-enal;1-methylpyrrolidine

C11H21NO — CID 168981066

IUPAC(Z)-hex-4-enal;1-methylpyrrolidine
SMILESC/C=C\CCC=O.CN1CCCC1
InChIInChI=1S/C6H10O.C5H11N/c1-2-3-4-5-6-7;1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3;2-5H2,1H3/b3-2-;
InChIKeyLSFVWDMRZBBQJB-OLGQORCHSA-N
MW183.30 g/mol
LogP2.25
Rot. Bonds3

About (Z)-hex-4-enal;1-methylpyrrolidine

(Z)-hex-4-enal;1-methylpyrrolidine (PubChem CID 168981066) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (Z)-hex-4-enal;1-methylpyrrolidine.

Molecular Properties

Compound Name(Z)-hex-4-enal;1-methylpyrrolidine
PubChem CID168981066
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(Z)-hex-4-enal;1-methylpyrrolidine
SMILESC/C=C\CCC=O.CN1CCCC1
InChIInChI=1S/C6H10O.C5H11N/c1-2-3-4-5-6-7;1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3;2-5H2,1H3/b3-2-;
InChIKeyLSFVWDMRZBBQJB-OLGQORCHSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-hex-4-enal;1-methylpyrrolidine?
The IUPAC name of (Z)-hex-4-enal;1-methylpyrrolidine (CID 168981066) is (Z)-hex-4-enal;1-methylpyrrolidine.
What is the SMILES notation for (Z)-hex-4-enal;1-methylpyrrolidine?
The canonical SMILES for (Z)-hex-4-enal;1-methylpyrrolidine is C/C=C\CCC=O.CN1CCCC1.
What is the InChIKey of (Z)-hex-4-enal;1-methylpyrrolidine?
The InChIKey is LSFVWDMRZBBQJB-OLGQORCHSA-N. The full InChI is InChI=1S/C6H10O.C5H11N/c1-2-3-4-5-6-7;1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3;2-5H2,1H3/b3-2-;.
What are the key properties of (Z)-hex-4-enal;1-methylpyrrolidine?
(Z)-hex-4-enal;1-methylpyrrolidine has a molecular weight of 183.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-4-enal;1-methylpyrrolidine is sourced from PubChem (CID 168981066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).