4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde

C14H19NO2 — CID 62468113

IUPAC4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCCC2CCCO)cc1
InChIInChI=1S/C14H19NO2/c16-10-2-4-13-3-1-9-15(13)14-7-5-12(11-17)6-8-14/h5-8,11,13,16H,1-4,9-10H2
InChIKeyHOLRKBHHUJFXJI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds5

About 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde (PubChem CID 62468113) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
PubChem CID62468113
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCCC2CCCO)cc1
InChIInChI=1S/C14H19NO2/c16-10-2-4-13-3-1-9-15(13)14-7-5-12(11-17)6-8-14/h5-8,11,13,16H,1-4,9-10H2
InChIKeyHOLRKBHHUJFXJI-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469358
3-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62648788
3-[1-[4-(1-hydroxyethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467233
3-[1-[4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467251
3-[1-[4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 63070356
3-[1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467222
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
3-[1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]pyrrolidin-2-yl]propan-1-ol
CID 83122786
2-[1-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethanol
CID 117028575
3-(1-phenylpyrrolidin-2-yl)propanoic acid
CID 117028652
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde?
The IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde (CID 62468113) is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde?
The canonical SMILES for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde is O=Cc1ccc(N2CCCC2CCCO)cc1.
What is the InChIKey of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde?
The InChIKey is HOLRKBHHUJFXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-10-2-4-13-3-1-9-15(13)14-7-5-12(11-17)6-8-14/h5-8,11,13,16H,1-4,9-10H2.
What are the key properties of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde?
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde has a molecular weight of 233.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzaldehyde is sourced from PubChem (CID 62468113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).