acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine

C13H16N2 — CID 143379896

IUPACacetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine
SMILESC#C.C=NC1=C(C)CC(=C)/C1=N\C=C/C
InChIInChI=1S/C11H14N2.C2H2/c1-5-6-13-11-9(3)7-8(2)10(11)12-4;1-2/h5-6H,3-4,7H2,1-2H3;1-2H/b6-5-,13-11+;
InChIKeyKIAHIGVBBOWYFF-IXPPWOGASA-N
MW200.28 g/mol
LogP3.14
Rot. Bonds2

About acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine

acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine (PubChem CID 143379896) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine.

Molecular Properties

Compound Nameacetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine
PubChem CID143379896
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Nameacetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine
SMILESC#C.C=NC1=C(C)CC(=C)/C1=N\C=C/C
InChIInChI=1S/C11H14N2.C2H2/c1-5-6-13-11-9(3)7-8(2)10(11)12-4;1-2/h5-6H,3-4,7H2,1-2H3;1-2H/b6-5-,13-11+;
InChIKeyKIAHIGVBBOWYFF-IXPPWOGASA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-methylidenecyclobutene
CID 20600458
(5E)-5-ethylidene-3-methyl-N-[(Z)-prop-1-enyl]-1,2-oxazol-4-imine
CID 145374732
3-methyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 142851442
2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine
CID 146626302
2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143498553
(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene
CID 144783390
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158
(3E)-3-[(Z)-but-2-enylidene]-7-methyl-2-methylidene-1H-indene
CID 144820890
4-(methylideneamino)-3-[(Z)-prop-1-enyl]-2,5-dihydro-1H-pyridin-6-one
CID 167209554
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenamine
CID 90382047
1-(2-methylcyclopenta-1,4-dien-1-yl)-N-[(Z)-prop-1-enyl]ethanimine
CID 144586453
ethane;propane;N-[(Z)-prop-1-enyl]methanimine
CID 178138060

Frequently Asked Questions

What is the IUPAC name of acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine?
The IUPAC name of acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine (CID 143379896) is acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine.
What is the SMILES notation for acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine?
The canonical SMILES for acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine is C#C.C=NC1=C(C)CC(=C)/C1=N\C=C/C.
What is the InChIKey of acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine?
The InChIKey is KIAHIGVBBOWYFF-IXPPWOGASA-N. The full InChI is InChI=1S/C11H14N2.C2H2/c1-5-6-13-11-9(3)7-8(2)10(11)12-4;1-2/h5-6H,3-4,7H2,1-2H3;1-2H/b6-5-,13-11+;.
What are the key properties of acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine?
acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine has a molecular weight of 200.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-methyl-5-methylidene-2-(methylideneamino)-N-[(Z)-prop-1-enyl]cyclopent-2-en-1-imine is sourced from PubChem (CID 143379896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).