(E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal

C6H10N2O — CID 145012913

IUPAC(E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal
SMILESC/N=C/C(C=O)=C\NC
InChIInChI=1S/C6H10N2O/c1-7-3-6(5-9)4-8-2/h3-5,7H,1-2H3/b6-3+,8-4+
InChIKeyMKZUXPRIMPKXHO-PHQNLGIASA-N
MW126.16 g/mol
LogP-0.01
Rot. Bonds3

About (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal

(E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal (PubChem CID 145012913) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal
PubChem CID145012913
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal
SMILESC/N=C/C(C=O)=C\NC
InChIInChI=1S/C6H10N2O/c1-7-3-6(5-9)4-8-2/h3-5,7H,1-2H3/b6-3+,8-4+
InChIKeyMKZUXPRIMPKXHO-PHQNLGIASA-N
XLogP-0.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-hydroxy-2-(methyliminomethyl)prop-2-enal
CID 135412629
3-hydroxy-2-(methyliminomethyl)prop-2-enal
CID 137181184
(Z,2E)-2-(methylaminomethylidene)hex-3-enal
CID 143279374
(Z)-N,3-dimethyl-2-(methyliminomethyl)but-1-en-1-amine
CID 142329757
methyl 4-(methyliminomethyl)hexa-2,4-dienoate
CID 123351285
N,N'-dimethyl-2-methyliminoethanimidamide
CID 90453900
N,3-dimethyl-1-methyliminobut-2-en-2-amine
CID 142871224
ethane;(E)-2-ethenyl-4-methyliminobut-2-enal
CID 145154775
4-methylimino-3-oxobutanoic acid
CID 141059268
2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine
CID 146703822
N-acetyl-2-methyliminoacetamide
CID 142043007
(2E)-2-hydrazinylidene-N-methyl-3-methyliminopropanamide
CID 168913138

Frequently Asked Questions

What is the IUPAC name of (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal?
The IUPAC name of (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal (CID 145012913) is (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal.
What is the SMILES notation for (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal?
The canonical SMILES for (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal is C/N=C/C(C=O)=C\NC.
What is the InChIKey of (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal?
The InChIKey is MKZUXPRIMPKXHO-PHQNLGIASA-N. The full InChI is InChI=1S/C6H10N2O/c1-7-3-6(5-9)4-8-2/h3-5,7H,1-2H3/b6-3+,8-4+.
What are the key properties of (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal?
(E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal has a molecular weight of 126.16 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methylamino)-2-(methyliminomethyl)prop-2-enal is sourced from PubChem (CID 145012913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).