(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone

C13H18N4O3 — CID 62681247

IUPAC(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H18N4O3/c1-2-10-4-3-7-16(10)13(18)9-5-6-12(17(19)20)11(8-9)15-14/h5-6,8,10,15H,2-4,7,14H2,1H3
InChIKeyCHWXOXTZFKFLQZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.89
Rot. Bonds4

About (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone

(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone (PubChem CID 62681247) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
PubChem CID62681247
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C13H18N4O3/c1-2-10-4-3-7-16(10)13(18)9-5-6-12(17(19)20)11(8-9)15-14/h5-6,8,10,15H,2-4,7,14H2,1H3
InChIKeyCHWXOXTZFKFLQZ-UHFFFAOYSA-N
XLogP1.89
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 62153181
(3-chloro-4-hydrazinyl-5-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 62234108
(3-hydrazinyl-4-nitrophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62681422
(3,4-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 79187045
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone
CID 119633409
(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83045573
[3-(ethylamino)-4-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62680478
(3-amino-4-nitrophenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637891
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
(2-amino-6-fluoro-3-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 107122808
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone;hydrochloride
CID 119632093
(3-methoxy-4-nitrophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115737634

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone (CID 62681247) is (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone is CCC1CCCN1C(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone?
The InChIKey is CHWXOXTZFKFLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-10-4-3-7-16(10)13(18)9-5-6-12(17(19)20)11(8-9)15-14/h5-6,8,10,15H,2-4,7,14H2,1H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone?
(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone has a molecular weight of 278.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone is sourced from PubChem (CID 62681247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).