N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine

C11H16N4O3 — CID 82747807

IUPACN-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine
SMILESCN(c1cccc(NN)c1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C11H16N4O3/c1-14(8-5-6-18-7-8)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3
InChIKeyKHVGSFANPLKRHZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.11
Rot. Bonds4

About N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine

N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine (PubChem CID 82747807) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine
PubChem CID82747807
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine
SMILESCN(c1cccc(NN)c1[N+](=O)[O-])C1CCOC1
InChIInChI=1S/C11H16N4O3/c1-14(8-5-6-18-7-8)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3
InChIKeyKHVGSFANPLKRHZ-UHFFFAOYSA-N
XLogP1.11
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
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

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CID 80762054
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CID 80918855
3-N-cyclopentyl-3-N-methyl-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80775484
N-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667
6-hydrazinyl-N-methyl-3-nitro-N-(oxolan-3-yl)pyridin-2-amine
CID 82747704
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine?
The IUPAC name of N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine (CID 82747807) is N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine.
What is the SMILES notation for N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine?
The canonical SMILES for N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine is CN(c1cccc(NN)c1[N+](=O)[O-])C1CCOC1.
What is the InChIKey of N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine?
The InChIKey is KHVGSFANPLKRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14(8-5-6-18-7-8)10-4-2-3-9(13-12)11(10)15(16)17/h2-4,8,13H,5-7,12H2,1H3.
What are the key properties of N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine?
N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine has a molecular weight of 252.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine is sourced from PubChem (CID 82747807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).