(NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine

C10H19N3O — CID 98157298

IUPAC(NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine
SMILESCN1CCN([C@H]2CCC/C2=N\O)CC1
InChIInChI=1S/C10H19N3O/c1-12-5-7-13(8-6-12)10-4-2-3-9(10)11-14/h10,14H,2-8H2,1H3/b11-9+/t10-/m0/s1
InChIKeyZCHOWNXZIAMOMH-SPQRFVMMSA-N
MW197.28 g/mol
LogP0.62
Rot. Bonds1

About (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine

(NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine (PubChem CID 98157298) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine
PubChem CID98157298
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine
SMILESCN1CCN([C@H]2CCC/C2=N\O)CC1
InChIInChI=1S/C10H19N3O/c1-12-5-7-13(8-6-12)10-4-2-3-9(10)11-14/h10,14H,2-8H2,1H3/b11-9+/t10-/m0/s1
InChIKeyZCHOWNXZIAMOMH-SPQRFVMMSA-N
XLogP0.62
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine (CID 98157298) is (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine is CN1CCN([C@H]2CCC/C2=N\O)CC1.
What is the InChIKey of (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine?
The InChIKey is ZCHOWNXZIAMOMH-SPQRFVMMSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-5-7-13(8-6-12)10-4-2-3-9(10)11-14/h10,14H,2-8H2,1H3/b11-9+/t10-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine?
(NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine has a molecular weight of 197.28 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine is sourced from PubChem (CID 98157298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).