[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol

C12H21NO — CID 130147695

IUPAC[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1CC=CCC1CN1CCCC1
InChIInChI=1S/C12H21NO/c14-10-12-6-2-1-5-11(12)9-13-7-3-4-8-13/h1-2,11-12,14H,3-10H2
InChIKeyTXBZYBBDSVGYAQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.66
Rot. Bonds3

About [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol

[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 130147695) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol
PubChem CID130147695
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1CC=CCC1CN1CCCC1
InChIInChI=1S/C12H21NO/c14-10-12-6-2-1-5-11(12)9-13-7-3-4-8-13/h1-2,11-12,14H,3-10H2
InChIKeyTXBZYBBDSVGYAQ-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol
CID 55303042
cis-(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10899101
2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
[2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentyl]methanol
CID 104550180
(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
CID 129314168
[(3S,4S)-1-(naphthalen-2-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133112262
[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70724361
[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 104550202
[2-(morpholin-4-ylmethyl)cyclopentyl]methanol
CID 104550188
[4-(dimethylamino)phenyl]-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 70777212
[1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 78085255

Frequently Asked Questions

What is the IUPAC name of [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol (CID 130147695) is [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol is OCC1CC=CCC1CN1CCCC1.
What is the InChIKey of [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is TXBZYBBDSVGYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-10-12-6-2-1-5-11(12)9-13-7-3-4-8-13/h1-2,11-12,14H,3-10H2.
What are the key properties of [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol?
[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 195.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 130147695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).