[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol

C14H15NO — CID 158647065

IUPAC[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol
SMILESOCC1(C2=CN=CC2)Cc2ccccc2C1
InChIInChI=1S/C14H15NO/c16-10-14(13-5-6-15-9-13)7-11-3-1-2-4-12(11)8-14/h1-4,6,9,16H,5,7-8,10H2
InChIKeyIBCDRNVFXNYFQQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.12
Rot. Bonds2

About [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol

[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol (PubChem CID 158647065) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol.

Molecular Properties

Compound Name[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol
PubChem CID158647065
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol
SMILESOCC1(C2=CN=CC2)Cc2ccccc2C1
InChIInChI=1S/C14H15NO/c16-10-14(13-5-6-15-9-13)7-11-3-1-2-4-12(11)8-14/h1-4,6,9,16H,5,7-8,10H2
InChIKeyIBCDRNVFXNYFQQ-UHFFFAOYSA-N
XLogP2.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol?
The IUPAC name of [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol (CID 158647065) is [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol.
What is the SMILES notation for [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol?
The canonical SMILES for [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol is OCC1(C2=CN=CC2)Cc2ccccc2C1.
What is the InChIKey of [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol?
The InChIKey is IBCDRNVFXNYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-10-14(13-5-6-15-9-13)7-11-3-1-2-4-12(11)8-14/h1-4,6,9,16H,5,7-8,10H2.
What are the key properties of [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol?
[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]methanol is sourced from PubChem (CID 158647065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).