3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine

C14H17N — CID 145284089

IUPAC3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
SMILES[H]/N=C1\C2C=CC=CC2C(C=C)C1/C=C\C
InChIInChI=1S/C14H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14(12)15/h3-13,15H,2H2,1H3/b7-3-,15-14-
InChIKeyFDLYWJZISOPUFG-KQUZNIQSSA-N
MW199.30 g/mol
LogP3.37
Rot. Bonds2

About 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine

3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine (PubChem CID 145284089) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine.

Molecular Properties

Compound Name3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
PubChem CID145284089
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
SMILES[H]/N=C1\C2C=CC=CC2C(C=C)C1/C=C\C
InChIInChI=1S/C14H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14(12)15/h3-13,15H,2H2,1H3/b7-3-,15-14-
InChIKeyFDLYWJZISOPUFG-KQUZNIQSSA-N
XLogP3.37
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
3,4,4a,4b,8a,9a-Hexahydrofluoren-9-imine
CID 89317268
1,2,3,3a,7,7a-Hexahydroinden-4-imine
CID 90957522
2,5,6-Trimethyl-4-penta-1,3-dien-2-ylcyclohex-3-en-1-imine
CID 123713088
4a,4b,8a,9a-Tetrahydrofluoren-9-imine
CID 134170096
(3Z,4Z)-3-(1-cyclopentylethylidene)-4-methylhepta-4,6-dien-2-imine
CID 144055119
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
CID 145123078
1-[6-Methyl-2-(2-methylpropyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 156381385
1-(2,3,7,7a-tetrahydro-1H-inden-5-yl)ethanimine
CID 163899552

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
The IUPAC name of 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine (CID 145284089) is 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine.
What is the SMILES notation for 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
The canonical SMILES for 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine is [H]/N=C1\C2C=CC=CC2C(C=C)C1/C=C\C.
What is the InChIKey of 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
The InChIKey is FDLYWJZISOPUFG-KQUZNIQSSA-N. The full InChI is InChI=1S/C14H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14(12)15/h3-13,15H,2H2,1H3/b7-3-,15-14-.
What are the key properties of 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine?
3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine is sourced from PubChem (CID 145284089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).