4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C15H19ClN2O3 — CID 119789564

IUPAC4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(CNC(=O)C2CC(O)CN2)oc2ccccc12.Cl
InChIInChI=1S/C15H18N2O3.ClH/c1-9-11-4-2-3-5-13(11)20-14(9)8-17-15(19)12-6-10(18)7-16-12;/h2-5,10,12,16,18H,6-8H2,1H3,(H,17,19);1H
InChIKeyHFUNXZMNSSOWPJ-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.50
Rot. Bonds3

About 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119789564) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119789564
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(CNC(=O)C2CC(O)CN2)oc2ccccc12.Cl
InChIInChI=1S/C15H18N2O3.ClH/c1-9-11-4-2-3-5-13(11)20-14(9)8-17-15(19)12-6-10(18)7-16-12;/h2-5,10,12,16,18H,6-8H2,1H3,(H,17,19);1H
InChIKeyHFUNXZMNSSOWPJ-UHFFFAOYSA-N
XLogP1.50
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119789555
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 135089831
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119789564) is 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1c(CNC(=O)C2CC(O)CN2)oc2ccccc12.Cl.
What is the InChIKey of 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HFUNXZMNSSOWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3.ClH/c1-9-11-4-2-3-5-13(11)20-14(9)8-17-15(19)12-6-10(18)7-16-12;/h2-5,10,12,16,18H,6-8H2,1H3,(H,17,19);1H.
What are the key properties of 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119789564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).