1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one

C13H17N5O3 — CID 107353254

IUPAC1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cccc([N+](=O)[O-])c2NN)c1=O
InChIInChI=1S/C13H17N5O3/c1-2-6-16-7-8-17(13(16)19)9-10-4-3-5-11(18(20)21)12(10)15-14/h3-5,7-8,15H,2,6,9,14H2,1H3
InChIKeyWVOGIYAIIJUDBT-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.30
Rot. Bonds6

About 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one

1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one (PubChem CID 107353254) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
PubChem CID107353254
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cccc([N+](=O)[O-])c2NN)c1=O
InChIInChI=1S/C13H17N5O3/c1-2-6-16-7-8-17(13(16)19)9-10-4-3-5-11(18(20)21)12(10)15-14/h3-5,7-8,15H,2,6,9,14H2,1H3
InChIKeyWVOGIYAIIJUDBT-UHFFFAOYSA-N
XLogP1.30
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 107353246
[2-[(4-ethylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107352957
[2-nitro-6-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 107353157
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
CID 80582560
1-[(2-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 107353187
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-4-propylpyrrolidin-2-one
CID 107353265
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
1-[(3-amino-2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 107347736
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
1-[[2-(methylamino)-5-nitrophenyl]methyl]-3-propylimidazol-2-one
CID 80580730
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one (CID 107353254) is 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cccc([N+](=O)[O-])c2NN)c1=O.
What is the InChIKey of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one?
The InChIKey is WVOGIYAIIJUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-2-6-16-7-8-17(13(16)19)9-10-4-3-5-11(18(20)21)12(10)15-14/h3-5,7-8,15H,2,6,9,14H2,1H3.
What are the key properties of 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one?
1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one has a molecular weight of 291.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-3-nitrophenyl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 107353254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).