(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

C20H24N2O2 — CID 97124412

IUPAC(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccn1C1CC1)N1CC[C@@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C20H24N2O2/c23-14-16-5-3-15(4-6-16)12-17-9-11-21(13-17)20(24)19-2-1-10-22(19)18-7-8-18/h1-6,10,17-18,23H,7-9,11-14H2/t17-/m0/s1
InChIKeyRHHYECISWUWLHV-KRWDZBQOSA-N
MW324.42 g/mol
LogP3.02
Rot. Bonds5

About (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 97124412) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
PubChem CID97124412
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccn1C1CC1)N1CC[C@@H](Cc2ccc(CO)cc2)C1
InChIInChI=1S/C20H24N2O2/c23-14-16-5-3-15(4-6-16)12-17-9-11-21(13-17)20(24)19-2-1-10-22(19)18-7-8-18/h1-6,10,17-18,23H,7-9,11-14H2/t17-/m0/s1
InChIKeyRHHYECISWUWLHV-KRWDZBQOSA-N
XLogP3.02
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 97205943
(5-ethyl-1H-pyrrol-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72911945
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97135817
[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72845401
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995
3-(1,3-dihydroisoindol-2-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 70717709
(1-ethyl-5-methylpyrazol-3-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97121185

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (CID 97124412) is (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is O=C(c1cccn1C1CC1)N1CC[C@@H](Cc2ccc(CO)cc2)C1.
What is the InChIKey of (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is RHHYECISWUWLHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-14-16-5-3-15(4-6-16)12-17-9-11-21(13-17)20(24)19-2-1-10-22(19)18-7-8-18/h1-6,10,17-18,23H,7-9,11-14H2/t17-/m0/s1.
What are the key properties of (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97124412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).