ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine

C16H19N — CID 143596104

IUPACethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine
SMILESCC.[H]/N=C1/C(C=C)=C(/C=C\C)c2ccccc21
InChIInChI=1S/C14H13N.C2H6/c1-3-7-11-10(4-2)14(15)13-9-6-5-8-12(11)13;1-2/h3-9,15H,2H2,1H3;1-2H3/b7-3-,15-14-;
InChIKeySCGQSENUNFHXBS-ZALJDOQVSA-N
MW225.33 g/mol
LogP4.61
Rot. Bonds2

About ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine

ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine (PubChem CID 143596104) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine.

Molecular Properties

Compound Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine
PubChem CID143596104
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Nameethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine
SMILESCC.[H]/N=C1/C(C=C)=C(/C=C\C)c2ccccc21
InChIInChI=1S/C14H13N.C2H6/c1-3-7-11-10(4-2)14(15)13-9-6-5-8-12(11)13;1-2/h3-9,15H,2H2,1H3;1-2H3/b7-3-,15-14-;
InChIKeySCGQSENUNFHXBS-ZALJDOQVSA-N
XLogP4.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8Z,10Z)-8,9-bis(ethenyl)-11-methyl-10-[(Z)-prop-1-enyl]tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 159429111
2-benzofuran-1,3-dione;3-ethenyl-4-[(Z)-prop-1-enyl]furan-2,5-dione;methyliodanuidylmethane
CID 154693342
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
1-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 145284483
2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione
CID 130412008
ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 143520012
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015
(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
CID 145241491
24-ethenyl-23-[(Z)-prop-1-enyl]-1,15,25-triaza-2,16,26-triboranonacyclo[24.12.0.02,15.03,8.09,14.016,25.017,22.027,32.033,38]octatriaconta-3,5,7,9,11,13,17,19,21,23,27,29,31,33,35,37-hexadecaene
CID 174144967
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine?
The IUPAC name of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine (CID 143596104) is ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine.
What is the SMILES notation for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine?
The canonical SMILES for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine is CC.[H]/N=C1/C(C=C)=C(/C=C\C)c2ccccc21.
What is the InChIKey of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine?
The InChIKey is SCGQSENUNFHXBS-ZALJDOQVSA-N. The full InChI is InChI=1S/C14H13N.C2H6/c1-3-7-11-10(4-2)14(15)13-9-6-5-8-12(11)13;1-2/h3-9,15H,2H2,1H3;1-2H3/b7-3-,15-14-;.
What are the key properties of ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine?
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine has a molecular weight of 225.33 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-[(Z)-prop-1-enyl]inden-1-imine is sourced from PubChem (CID 143596104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).