(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol

C15H21NO2 — CID 82244497

IUPAC(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol
SMILESCc1cc(C(O)C2CCCN2)cc2c1OCCC2
InChIInChI=1S/C15H21NO2/c1-10-8-12(14(17)13-5-2-6-16-13)9-11-4-3-7-18-15(10)11/h8-9,13-14,16-17H,2-7H2,1H3
InChIKeyDCVVPVDOKWYEHV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.11
Rot. Bonds2

About (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol

(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol (PubChem CID 82244497) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol
PubChem CID82244497
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol
SMILESCc1cc(C(O)C2CCCN2)cc2c1OCCC2
InChIInChI=1S/C15H21NO2/c1-10-8-12(14(17)13-5-2-6-16-13)9-11-4-3-7-18-15(10)11/h8-9,13-14,16-17H,2-7H2,1H3
InChIKeyDCVVPVDOKWYEHV-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-pyrrolidin-2-ylmethanol
CID 82246205
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]pyrrolidine
CID 82244186
(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-piperidin-3-ylmethanol
CID 82248255
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
CID 102149497
2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 170905811
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol (CID 82244497) is (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol is Cc1cc(C(O)C2CCCN2)cc2c1OCCC2.
What is the InChIKey of (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is DCVVPVDOKWYEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-8-12(14(17)13-5-2-6-16-13)9-11-4-3-7-18-15(10)11/h8-9,13-14,16-17H,2-7H2,1H3.
What are the key properties of (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol?
(8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 247.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4-dihydro-2H-chromen-6-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 82244497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).