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

C12H18N4O3 — CID 80924148

IUPAC2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
SMILESNNc1cccc(NCC2CCCC2O)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-15-10-5-2-4-9(12(10)16(18)19)14-7-8-3-1-6-11(8)17/h2,4-5,8,11,14-15,17H,1,3,6-7,13H2
InChIKeyGEICSWBSDYYDDQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.45
Rot. Bonds5

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

2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol (PubChem CID 80924148) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
PubChem CID80924148
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
SMILESNNc1cccc(NCC2CCCC2O)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-15-10-5-2-4-9(12(10)16(18)19)14-7-8-3-1-6-11(8)17/h2,4-5,8,11,14-15,17H,1,3,6-7,13H2
InChIKeyGEICSWBSDYYDDQ-UHFFFAOYSA-N
XLogP1.45
TPSA113.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.45
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

2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431
2-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 104836005
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 80921595
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106138658
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480
3-hydrazinyl-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 107298915
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80899247
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol (CID 80924148) is 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol is NNc1cccc(NCC2CCCC2O)c1[N+](=O)[O-].
What is the InChIKey of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
The InChIKey is GEICSWBSDYYDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-15-10-5-2-4-9(12(10)16(18)19)14-7-8-3-1-6-11(8)17/h2,4-5,8,11,14-15,17H,1,3,6-7,13H2.
What are the key properties of 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol?
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol has a molecular weight of 266.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 80924148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).