(Z)-2-(methylamino)pent-2-enal

C6H11NO — CID 144647822

IUPAC(Z)-2-(methylamino)pent-2-enal
SMILESCC/C=C(/C=O)NC
InChIInChI=1S/C6H11NO/c1-3-4-6(5-8)7-2/h4-5,7H,3H2,1-2H3/b6-4-
InChIKeySNPMYGYANCNQML-XQRVVYSFSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds3

About (Z)-2-(methylamino)pent-2-enal

(Z)-2-(methylamino)pent-2-enal (PubChem CID 144647822) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-2-(methylamino)pent-2-enal.

Molecular Properties

Compound Name(Z)-2-(methylamino)pent-2-enal
PubChem CID144647822
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-2-(methylamino)pent-2-enal
SMILESCC/C=C(/C=O)NC
InChIInChI=1S/C6H11NO/c1-3-4-6(5-8)7-2/h4-5,7H,3H2,1-2H3/b6-4-
InChIKeySNPMYGYANCNQML-XQRVVYSFSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylamino)pent-2-enal?
The IUPAC name of (Z)-2-(methylamino)pent-2-enal (CID 144647822) is (Z)-2-(methylamino)pent-2-enal.
What is the SMILES notation for (Z)-2-(methylamino)pent-2-enal?
The canonical SMILES for (Z)-2-(methylamino)pent-2-enal is CC/C=C(/C=O)NC.
What is the InChIKey of (Z)-2-(methylamino)pent-2-enal?
The InChIKey is SNPMYGYANCNQML-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-6(5-8)7-2/h4-5,7H,3H2,1-2H3/b6-4-.
What are the key properties of (Z)-2-(methylamino)pent-2-enal?
(Z)-2-(methylamino)pent-2-enal has a molecular weight of 113.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)pent-2-enal is sourced from PubChem (CID 144647822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).