(NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine

C14H18N2O — CID 98157882

IUPAC(NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC[C@H]1N1CCCc2ccccc21
InChIInChI=1S/C14H18N2O/c17-15-12-7-3-9-14(12)16-10-4-6-11-5-1-2-8-13(11)16/h1-2,5,8,14,17H,3-4,6-7,9-10H2/b15-12+/t14-/m1/s1
InChIKeyWKHGUDQTJHQWHU-FQZGENGWSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds1

About (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine

(NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine (PubChem CID 98157882) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine
PubChem CID98157882
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine
SMILESO/N=C1\CCC[C@H]1N1CCCc2ccccc21
InChIInChI=1S/C14H18N2O/c17-15-12-7-3-9-14(12)16-10-4-6-11-5-1-2-8-13(11)16/h1-2,5,8,14,17H,3-4,6-7,9-10H2/b15-12+/t14-/m1/s1
InChIKeyWKHGUDQTJHQWHU-FQZGENGWSA-N
XLogP2.82
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(NE)-N-[(4Z)-8-(3,4-dihydro-2H-quinolin-1-yl)cyclooct-4-en-1-ylidene]hydroxylamine
CID 43835230
1-(3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1H-inden-5-ol
CID 107684922
(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
CID 6158664
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 680139
(NE)-N-[(2S)-2-(4-methylpiperazin-1-yl)cyclopentylidene]hydroxylamine
CID 98157298
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
3-(3,4-dihydro-2H-quinolin-1-yl)cyclopentan-1-amine
CID 79464524
N-[2-(4-phenylpiperazin-1-yl)cyclododecylidene]hydroxylamine
CID 4249511
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
(NE)-N-[(2S)-2-(4-phenylpiperidin-1-yl)cyclododecylidene]hydroxylamine
CID 98155352
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine (CID 98157882) is (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine is O/N=C1\CCC[C@H]1N1CCCc2ccccc21.
What is the InChIKey of (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine?
The InChIKey is WKHGUDQTJHQWHU-FQZGENGWSA-N. The full InChI is InChI=1S/C14H18N2O/c17-15-12-7-3-9-14(12)16-10-4-6-11-5-1-2-8-13(11)16/h1-2,5,8,14,17H,3-4,6-7,9-10H2/b15-12+/t14-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine?
(NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine has a molecular weight of 230.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentylidene]hydroxylamine is sourced from PubChem (CID 98157882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).