[4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol

C9H15NO2 — CID 176808735

IUPAC[4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol
SMILESOCC1CC(CO)C2=C1CNC2
InChIInChI=1S/C9H15NO2/c11-4-6-1-7(5-12)9-3-10-2-8(6)9/h6-7,10-12H,1-5H2
InChIKeyAAPYSUGNNKXIHE-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.49
Rot. Bonds2

About [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol

[4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol (PubChem CID 176808735) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol
PubChem CID176808735
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol
SMILESOCC1CC(CO)C2=C1CNC2
InChIInChI=1S/C9H15NO2/c11-4-6-1-7(5-12)9-3-10-2-8(6)9/h6-7,10-12H,1-5H2
InChIKeyAAPYSUGNNKXIHE-UHFFFAOYSA-N
XLogP-0.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(hydroxymethyl)-6-azabicyclo[3.1.0]hex-1(5)-en-2-yl]methanol
CID 176808873
3-(hydroxymethyl)piperidin-4-one
CID 154392175
(2,3,4-trifluorocyclopent-2-en-1-yl)methanol
CID 121336125
2-bicyclo[3.2.0]hept-1(5)-enylmethanol
CID 130331549
4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438006
[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methanol
CID 18512699
(2-amino-4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol
CID 87576855
2,3,4,5-tetrahydro-1H-isoindol-5-ylmethanol
CID 123242980
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[(2S)-4-methylsulfanylpyrrolidin-2-yl]methanol
CID 88973819
(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
CID 70587872
trans-(2S,6S)-2-(hydroxymethyl)-4,6-dimethylcyclohexan-1-one
CID 67149597

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol (CID 176808735) is [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol is OCC1CC(CO)C2=C1CNC2.
What is the InChIKey of [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol?
The InChIKey is AAPYSUGNNKXIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-4-6-1-7(5-12)9-3-10-2-8(6)9/h6-7,10-12H,1-5H2.
What are the key properties of [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol?
[4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol has a molecular weight of 169.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrol-6-yl]methanol is sourced from PubChem (CID 176808735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).