N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide

C10H13N3O5 — CID 120943472

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H13N3O5/c14-7-5-11-3-6(7)4-12-10(15)8-1-2-9(18-8)13(16)17/h1-2,6-7,11,14H,3-5H2,(H,12,15)
InChIKeyFKKDBVLCPUVFRZ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.50
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide (PubChem CID 120943472) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
PubChem CID120943472
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCC1CNCC1O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H13N3O5/c14-7-5-11-3-6(7)4-12-10(15)8-1-2-9(18-8)13(16)17/h1-2,6-7,11,14H,3-5H2,(H,12,15)
InChIKeyFKKDBVLCPUVFRZ-UHFFFAOYSA-N
XLogP-0.50
TPSA117.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
CID 120948004
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
CID 43594400
4-[[(5-nitrofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525902
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide
CID 17145977
5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
CID 119445931
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
4-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-nitrobenzamide;hydrochloride
CID 120948188

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide (CID 120943472) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide is O=C(NCC1CNCC1O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is FKKDBVLCPUVFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-7-5-11-3-6(7)4-12-10(15)8-1-2-9(18-8)13(16)17/h1-2,6-7,11,14H,3-5H2,(H,12,15).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 255.23 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 120943472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).