3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol

C11H16N4O3 — CID 80921595

IUPAC3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
SMILESNNc1cccc(NCC2CC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c12-14-10-3-1-2-9(11(10)15(17)18)13-6-7-4-8(16)5-7/h1-3,7-8,13-14,16H,4-6,12H2
InChIKeyKWMQBSRBDCHDCJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.06
Rot. Bonds5

About 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol

3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol (PubChem CID 80921595) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
PubChem CID80921595
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
SMILESNNc1cccc(NCC2CC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c12-14-10-3-1-2-9(11(10)15(17)18)13-6-7-4-8(16)5-7/h1-3,7-8,13-14,16H,4-6,12H2
InChIKeyKWMQBSRBDCHDCJ-UHFFFAOYSA-N
XLogP1.06
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106138658
3-[(3-fluoro-2-nitroanilino)methyl]cyclobutan-1-ol
CID 66005060
3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 80924148
3-[[3-(ethylamino)-2-nitroanilino]methyl]cyclopentan-1-ol
CID 106137977
3-hydrazinyl-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 107298915
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
3-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106127905
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80899247
3-[(3-methylsulfonyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 103269800

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol (CID 80921595) is 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol is NNc1cccc(NCC2CC(O)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol?
The InChIKey is KWMQBSRBDCHDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-14-10-3-1-2-9(11(10)15(17)18)13-6-7-4-8(16)5-7/h1-3,7-8,13-14,16H,4-6,12H2.
What are the key properties of 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol?
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol has a molecular weight of 252.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 80921595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).