(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine

C15H12ClNO2 — CID 5399086

IUPAC(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
SMILESO/N=C1/C[C@@H](c2ccc(Cl)cc2)Oc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-11-7-5-10(6-8-11)15-9-13(17-18)12-3-1-2-4-14(12)19-15/h1-8,15,18H,9H2/b17-13-/t15-/m0/s1
InChIKeyLNIUSMGRSBSFKY-SUCHYCSPSA-N
MW273.72 g/mol
LogP4.04
Rot. Bonds1

About (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine

(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine (PubChem CID 5399086) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
PubChem CID5399086
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine
SMILESO/N=C1/C[C@@H](c2ccc(Cl)cc2)Oc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-11-7-5-10(6-8-11)15-9-13(17-18)12-3-1-2-4-14(12)19-15/h1-8,15,18H,9H2/b17-13-/t15-/m0/s1
InChIKeyLNIUSMGRSBSFKY-SUCHYCSPSA-N
XLogP4.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.04
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

4-chloro-N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]aniline
CID 7415283
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
CID 5468257
2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
CID 3586864
2-chloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
CID 3538487
[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino] 2-chlorobenzoate
CID 97413922
[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] 2-chlorobenzoate
CID 51066863
(NZ)-N-(2-propan-2-yl-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 166853400
4-(4-methoxyimino-2,3-dihydrochromen-2-yl)benzoic acid
CID 154406737
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
CID 71898402
1-methyl-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea
CID 5387434
(2S,4E)-4-hydroxyimino-2-(4-hydroxyphenyl)-2,3-dihydrochromene-5,7-diol
CID 177439381

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine (CID 5399086) is (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine is O/N=C1/C[C@@H](c2ccc(Cl)cc2)Oc2ccccc21.
What is the InChIKey of (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine?
The InChIKey is LNIUSMGRSBSFKY-SUCHYCSPSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-11-7-5-10(6-8-11)15-9-13(17-18)12-3-1-2-4-14(12)19-15/h1-8,15,18H,9H2/b17-13-/t15-/m0/s1.
What are the key properties of (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine?
(NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine has a molecular weight of 273.72 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2S)-2-(4-chlorophenyl)-2,3-dihydrochromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 5399086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).