(Z)-3-methyl-5-(methylamino)pent-2-enal

C7H13NO — CID 142916627

IUPAC(Z)-3-methyl-5-(methylamino)pent-2-enal
SMILESCNCC/C(C)=C\C=O
InChIInChI=1S/C7H13NO/c1-7(4-6-9)3-5-8-2/h4,6,8H,3,5H2,1-2H3/b7-4-
InChIKeyPWAMWRQFUDVCTA-DAXSKMNVSA-N
MW127.19 g/mol
LogP0.74
Rot. Bonds4

About (Z)-3-methyl-5-(methylamino)pent-2-enal

(Z)-3-methyl-5-(methylamino)pent-2-enal (PubChem CID 142916627) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-3-methyl-5-(methylamino)pent-2-enal.

Molecular Properties

Compound Name(Z)-3-methyl-5-(methylamino)pent-2-enal
PubChem CID142916627
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-3-methyl-5-(methylamino)pent-2-enal
SMILESCNCC/C(C)=C\C=O
InChIInChI=1S/C7H13NO/c1-7(4-6-9)3-5-8-2/h4,6,8H,3,5H2,1-2H3/b7-4-
InChIKeyPWAMWRQFUDVCTA-DAXSKMNVSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.74
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)-3-methyl-5-(methylamino)pent-2-enal?
The IUPAC name of (Z)-3-methyl-5-(methylamino)pent-2-enal (CID 142916627) is (Z)-3-methyl-5-(methylamino)pent-2-enal.
What is the SMILES notation for (Z)-3-methyl-5-(methylamino)pent-2-enal?
The canonical SMILES for (Z)-3-methyl-5-(methylamino)pent-2-enal is CNCC/C(C)=C\C=O.
What is the InChIKey of (Z)-3-methyl-5-(methylamino)pent-2-enal?
The InChIKey is PWAMWRQFUDVCTA-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(4-6-9)3-5-8-2/h4,6,8H,3,5H2,1-2H3/b7-4-.
What are the key properties of (Z)-3-methyl-5-(methylamino)pent-2-enal?
(Z)-3-methyl-5-(methylamino)pent-2-enal has a molecular weight of 127.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-5-(methylamino)pent-2-enal is sourced from PubChem (CID 142916627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).