[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol

C18H23NO2 — CID 111442695

IUPAC[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCOc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NO2/c20-14-15-8-10-19(13-15)9-3-11-21-18-7-6-16-4-1-2-5-17(16)12-18/h1-2,4-7,12,15,20H,3,8-11,13-14H2
InChIKeySYWBBRFMDALPRR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.92
Rot. Bonds6

About [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol

[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol (PubChem CID 111442695) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
PubChem CID111442695
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCCOc2ccc3ccccc3c2)C1
InChIInChI=1S/C18H23NO2/c20-14-15-8-10-19(13-15)9-3-11-21-18-7-6-16-4-1-2-5-17(16)12-18/h1-2,4-7,12,15,20H,3,8-11,13-14H2
InChIKeySYWBBRFMDALPRR-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol (CID 111442695) is [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol is OCC1CCN(CCCOc2ccc3ccccc3c2)C1.
What is the InChIKey of [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol?
The InChIKey is SYWBBRFMDALPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-14-15-8-10-19(13-15)9-3-11-21-18-7-6-16-4-1-2-5-17(16)12-18/h1-2,4-7,12,15,20H,3,8-11,13-14H2.
What are the key properties of [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol?
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 111442695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).