1-(5-nitrofuran-2-yl)piperidine

C9H12N2O3 — CID 134976034

IUPAC1-(5-nitrofuran-2-yl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)o1
InChIInChI=1S/C9H12N2O3/c12-11(13)9-5-4-8(14-9)10-6-2-1-3-7-10/h4-5H,1-3,6-7H2
InChIKeyAQYOSUUMEVDVML-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.18
Rot. Bonds2

About 1-(5-nitrofuran-2-yl)piperidine

1-(5-nitrofuran-2-yl)piperidine (PubChem CID 134976034) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-yl)piperidine.

Molecular Properties

Compound Name1-(5-nitrofuran-2-yl)piperidine
PubChem CID134976034
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(5-nitrofuran-2-yl)piperidine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)o1
InChIInChI=1S/C9H12N2O3/c12-11(13)9-5-4-8(14-9)10-6-2-1-3-7-10/h4-5H,1-3,6-7H2
InChIKeyAQYOSUUMEVDVML-UHFFFAOYSA-N
XLogP2.18
TPSA59.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(5-nitrofuran-2-yl)imidazolidin-2-one
CID 12998976
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
CID 71404922
1-(5-nitrofuran-2-carbonyl)azepan-2-one
CID 18916082
1-(5-nitrofuran-2-yl)-3-(prop-2-enylideneamino)imidazolidine-2,4-dione
CID 139947631
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine
CID 4576176
N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
CID 952498
2-[(5-nitrofuran-2-yl)methylamino]-1-piperidin-1-ylethanone
CID 112689835
1-(5-ethylfuran-2-yl)piperidine
CID 137390727
N-[(5-nitrofuran-2-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 4055851
2-(4-nitrophenyl)-N-[(5-piperidin-1-ylfuran-2-yl)methylideneamino]acetamide
CID 4519777
(E)-2-(3-nitrophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 2219169

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-yl)piperidine?
The IUPAC name of 1-(5-nitrofuran-2-yl)piperidine (CID 134976034) is 1-(5-nitrofuran-2-yl)piperidine.
What is the SMILES notation for 1-(5-nitrofuran-2-yl)piperidine?
The canonical SMILES for 1-(5-nitrofuran-2-yl)piperidine is O=[N+]([O-])c1ccc(N2CCCCC2)o1.
What is the InChIKey of 1-(5-nitrofuran-2-yl)piperidine?
The InChIKey is AQYOSUUMEVDVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-11(13)9-5-4-8(14-9)10-6-2-1-3-7-10/h4-5H,1-3,6-7H2.
What are the key properties of 1-(5-nitrofuran-2-yl)piperidine?
1-(5-nitrofuran-2-yl)piperidine has a molecular weight of 196.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-yl)piperidine is sourced from PubChem (CID 134976034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).