[(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol

C11H17NO — CID 101013944

IUPAC[(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CC1C=CC=C1
InChIInChI=1S/C11H17NO/c13-9-11-6-3-7-12(11)8-10-4-1-2-5-10/h1-2,4-5,10-11,13H,3,6-9H2/t11-/m0/s1
InChIKeyUZZBHDJMGAAZLD-NSHDSACASA-N
MW179.26 g/mol
LogP1.19
Rot. Bonds3

About [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 101013944) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID101013944
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CC1C=CC=C1
InChIInChI=1S/C11H17NO/c13-9-11-6-3-7-12(11)8-10-4-1-2-5-10/h1-2,4-5,10-11,13H,3,6-9H2/t11-/m0/s1
InChIKeyUZZBHDJMGAAZLD-NSHDSACASA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

Cambridge id 5414386
CID 3717985
[(2S)-1-[(2E,4Z)-4-bromo-6-methylhepta-2,4-dienyl]pyrrolidin-2-yl]methanol
CID 15358966
[(2S)-1-but-3-enylpyrrolidin-2-yl]methanol
CID 15785190
Qblqaaadgcoxdw-uhfffaoysa-
CID 21598216
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 12062258
[(2R)-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-2-yl]methanol
CID 141293911
[(2S)-1-(cyclohepta-1,3,6-trien-1-ylmethyl)pyrrolidin-2-yl]methanol;ethane
CID 142268123
ethane;[(2S)-1-[(2E,4Z)-2-methylhexa-2,4-dienyl]pyrrolidin-2-yl]methanol
CID 144607857
[1-(Cyclohexa-1,3-dien-1-ylmethyl)pyrrolidin-2-yl]methanol
CID 170423351
[1-propan-2-yl-4-[(E)-prop-1-enyl]pyrrolidin-2-yl]methanol
CID 172349929
(1-Cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol
CID 173351198

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol (CID 101013944) is [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CC1C=CC=C1.
What is the InChIKey of [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is UZZBHDJMGAAZLD-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c13-9-11-6-3-7-12(11)8-10-4-1-2-5-10/h1-2,4-5,10-11,13H,3,6-9H2/t11-/m0/s1.
What are the key properties of [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 101013944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).