N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride

C11H17ClN2O3 — CID 120948004

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCC2CNCC2O)o1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-7-2-3-10(16-7)11(15)13-5-8-4-12-6-9(8)14;/h2-3,8-9,12,14H,4-6H2,1H3,(H,13,15);1H
InChIKeyFITUANQICRVPOV-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.32
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride (PubChem CID 120948004) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
PubChem CID120948004
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCC2CNCC2O)o1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-7-2-3-10(16-7)11(15)13-5-8-4-12-6-9(8)14;/h2-3,8-9,12,14H,4-6H2,1H3,(H,13,15);1H
InChIKeyFITUANQICRVPOV-UHFFFAOYSA-N
XLogP0.32
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
CID 120943472
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120946334
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 120944157
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 120946987
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120945181
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944095
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride (CID 120948004) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride is Cc1ccc(C(=O)NCC2CNCC2O)o1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is FITUANQICRVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.ClH/c1-7-2-3-10(16-7)11(15)13-5-8-4-12-6-9(8)14;/h2-3,8-9,12,14H,4-6H2,1H3,(H,13,15);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120948004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).