ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine

C25H31N — CID 143823173

IUPACethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine
SMILESC/C=C\C(=C/CC)CC1=CC(Cc2ccccn2)c2ccccc21.CC
InChIInChI=1S/C23H25N.C2H6/c1-3-9-18(10-4-2)15-19-16-20(17-21-11-7-8-14-24-21)23-13-6-5-12-22(19)23;1-2/h3,5-14,16,20H,4,15,17H2,1-2H3;1-2H3/b9-3-,18-10+;
InChIKeyISOCEHNJNUSHFR-FTUBABHMSA-N
MW345.53 g/mol
LogP7.13
Rot. Bonds6

About ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine

ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine (PubChem CID 143823173) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine.

Molecular Properties

Compound Nameethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine
PubChem CID143823173
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Nameethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine
SMILESC/C=C\C(=C/CC)CC1=CC(Cc2ccccn2)c2ccccc21.CC
InChIInChI=1S/C23H25N.C2H6/c1-3-9-18(10-4-2)15-19-16-20(17-21-11-7-8-14-24-21)23-13-6-5-12-22(19)23;1-2/h3,5-14,16,20H,4,15,17H2,1-2H3;1-2H3/b9-3-,18-10+;
InChIKeyISOCEHNJNUSHFR-FTUBABHMSA-N
XLogP7.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine?
The IUPAC name of ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine (CID 143823173) is ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine.
What is the SMILES notation for ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine?
The canonical SMILES for ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine is C/C=C\C(=C/CC)CC1=CC(Cc2ccccn2)c2ccccc21.CC.
What is the InChIKey of ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine?
The InChIKey is ISOCEHNJNUSHFR-FTUBABHMSA-N. The full InChI is InChI=1S/C23H25N.C2H6/c1-3-9-18(10-4-2)15-19-16-20(17-21-11-7-8-14-24-21)23-13-6-5-12-22(19)23;1-2/h3,5-14,16,20H,4,15,17H2,1-2H3;1-2H3/b9-3-,18-10+;.
What are the key properties of ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine?
ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine has a molecular weight of 345.53 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine is sourced from PubChem (CID 143823173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).