(4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol

C15H17NO — CID 123970032

IUPAC(4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol
SMILESOCc1cc2c([nH]1)CCC2Cc1ccccc1
InChIInChI=1S/C15H17NO/c17-10-13-9-14-12(6-7-15(14)16-13)8-11-4-2-1-3-5-11/h1-5,9,12,16-17H,6-8,10H2
InChIKeyPCIYPKPTBHWCNW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.78
Rot. Bonds3

About (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol

(4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol (PubChem CID 123970032) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol
PubChem CID123970032
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol
SMILESOCc1cc2c([nH]1)CCC2Cc1ccccc1
InChIInChI=1S/C15H17NO/c17-10-13-9-14-12(6-7-15(14)16-13)8-11-4-2-1-3-5-11/h1-5,9,12,16-17H,6-8,10H2
InChIKeyPCIYPKPTBHWCNW-UHFFFAOYSA-N
XLogP2.78
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[3-[4-(hydroxymethyl)phenyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 59180052
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
4-[(3-carbamoylphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 59180209
4-[(3-methoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 59180161
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperidin-2-one
CID 11830950
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline
CID 56590209
6-benzyl-3-ethoxycyclohex-2-en-1-one
CID 12735113
phenylmethanol;tungsten
CID 166544439
2-benzyl-N-[4-[(2-benzylcyclobutylidene)amino]butyl]cyclobutan-1-imine
CID 57276824
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
5-benzylpyrrolidine-2-thione
CID 89366574

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol?
The IUPAC name of (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol (CID 123970032) is (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol.
What is the SMILES notation for (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol?
The canonical SMILES for (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol is OCc1cc2c([nH]1)CCC2Cc1ccccc1.
What is the InChIKey of (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol?
The InChIKey is PCIYPKPTBHWCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-10-13-9-14-12(6-7-15(14)16-13)8-11-4-2-1-3-5-11/h1-5,9,12,16-17H,6-8,10H2.
What are the key properties of (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol?
(4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol has a molecular weight of 227.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)methanol is sourced from PubChem (CID 123970032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).