N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide

C9H14N2 — CID 171835163

IUPACN'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide
SMILESC=CC(=C)/C(=N\C)N/C=C\C
InChIInChI=1S/C9H14N2/c1-5-7-11-9(10-4)8(3)6-2/h5-7H,2-3H2,1,4H3,(H,10,11)/b7-5-
InChIKeyMGZPRNRAPYDSCK-ALCCZGGFSA-N
MW150.22 g/mol
LogP1.88
Rot. Bonds3

About N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide

N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide (PubChem CID 171835163) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide.

Molecular Properties

Compound NameN'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide
PubChem CID171835163
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide
SMILESC=CC(=C)/C(=N\C)N/C=C\C
InChIInChI=1S/C9H14N2/c1-5-7-11-9(10-4)8(3)6-2/h5-7H,2-3H2,1,4H3,(H,10,11)/b7-5-
InChIKeyMGZPRNRAPYDSCK-ALCCZGGFSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-prop-1-enyl]prop-2-enamide
CID 89246615
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
CID 143760163
N'-methyl-2-oxo-N-[(Z)-prop-1-enyl]ethanimidamide
CID 126606016
1-methylidene-3-[(Z)-prop-1-enyl]urea
CID 142847691
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 142811977
2-(ethenylamino)-2-methyliminoacetyl chloride
CID 123840567
ethane;3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
CID 176706611
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
CID 155705669
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide?
The IUPAC name of N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide (CID 171835163) is N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide.
What is the SMILES notation for N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide?
The canonical SMILES for N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide is C=CC(=C)/C(=N\C)N/C=C\C.
What is the InChIKey of N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide?
The InChIKey is MGZPRNRAPYDSCK-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-7-11-9(10-4)8(3)6-2/h5-7H,2-3H2,1,4H3,(H,10,11)/b7-5-.
What are the key properties of N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide?
N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide is sourced from PubChem (CID 171835163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).