(Z)-4-(methylamino)-2-methylidenebut-3-enal

C6H9NO — CID 156819240

IUPAC(Z)-4-(methylamino)-2-methylidenebut-3-enal
SMILESC=C(C=O)/C=C\NC
InChIInChI=1S/C6H9NO/c1-6(5-8)3-4-7-2/h3-5,7H,1H2,2H3/b4-3-
InChIKeySRCQUJXMEMDLQO-ARJAWSKDSA-N
MW111.14 g/mol
LogP0.47
Rot. Bonds3

About (Z)-4-(methylamino)-2-methylidenebut-3-enal

(Z)-4-(methylamino)-2-methylidenebut-3-enal (PubChem CID 156819240) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (Z)-4-(methylamino)-2-methylidenebut-3-enal.

Molecular Properties

Compound Name(Z)-4-(methylamino)-2-methylidenebut-3-enal
PubChem CID156819240
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(Z)-4-(methylamino)-2-methylidenebut-3-enal
SMILESC=C(C=O)/C=C\NC
InChIInChI=1S/C6H9NO/c1-6(5-8)3-4-7-2/h3-5,7H,1H2,2H3/b4-3-
InChIKeySRCQUJXMEMDLQO-ARJAWSKDSA-N
XLogP0.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.47
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(methylamino)-2-methylidenebut-3-enal?
The IUPAC name of (Z)-4-(methylamino)-2-methylidenebut-3-enal (CID 156819240) is (Z)-4-(methylamino)-2-methylidenebut-3-enal.
What is the SMILES notation for (Z)-4-(methylamino)-2-methylidenebut-3-enal?
The canonical SMILES for (Z)-4-(methylamino)-2-methylidenebut-3-enal is C=C(C=O)/C=C\NC.
What is the InChIKey of (Z)-4-(methylamino)-2-methylidenebut-3-enal?
The InChIKey is SRCQUJXMEMDLQO-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(5-8)3-4-7-2/h3-5,7H,1H2,2H3/b4-3-.
What are the key properties of (Z)-4-(methylamino)-2-methylidenebut-3-enal?
(Z)-4-(methylamino)-2-methylidenebut-3-enal has a molecular weight of 111.14 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(methylamino)-2-methylidenebut-3-enal is sourced from PubChem (CID 156819240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).