3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol

C14H19NO2 — CID 114743211

IUPAC3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cccc3c2OCCC3)C1
InChIInChI=1S/C14H19NO2/c1-15-8-7-14(16,10-15)12-6-2-4-11-5-3-9-17-13(11)12/h2,4,6,16H,3,5,7-10H2,1H3
InChIKeyCGXZFKUULWBXLI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.53
Rot. Bonds1

About 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol

3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol (PubChem CID 114743211) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
PubChem CID114743211
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cccc3c2OCCC3)C1
InChIInChI=1S/C14H19NO2/c1-15-8-7-14(16,10-15)12-6-2-4-11-5-3-9-17-13(11)12/h2,4,6,16H,3,5,7-10H2,1H3
InChIKeyCGXZFKUULWBXLI-UHFFFAOYSA-N
XLogP1.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
CID 114743453
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
1-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743921
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 142821690
4-(3-chloro-2-methylphenyl)-1-methylpiperidin-4-ol
CID 83824769

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol (CID 114743211) is 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(c2cccc3c2OCCC3)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is CGXZFKUULWBXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-8-7-14(16,10-15)12-6-2-4-11-5-3-9-17-13(11)12/h2,4,6,16H,3,5,7-10H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol?
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 233.31 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 114743211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).