(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine

C17H17NO2 — CID 40542857

IUPAC(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
SMILESCOc1ccc([C@H]2C[C@H]2/C(=N\O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-20-14-9-7-12(8-10-14)15-11-16(15)17(18-19)13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3/b18-17-/t15-,16-/m1/s1
InChIKeySVZRWBOWZMYECF-NGITZIGVSA-N
MW267.33 g/mol
LogP3.68
Rot. Bonds4

About (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine

(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine (PubChem CID 40542857) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
PubChem CID40542857
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
SMILESCOc1ccc([C@H]2C[C@H]2/C(=N\O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-20-14-9-7-12(8-10-14)15-11-16(15)17(18-19)13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3/b18-17-/t15-,16-/m1/s1
InChIKeySVZRWBOWZMYECF-NGITZIGVSA-N
XLogP3.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine (CID 40542857) is (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine is COc1ccc([C@H]2C[C@H]2/C(=N\O)c2ccccc2)cc1.
What is the InChIKey of (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine?
The InChIKey is SVZRWBOWZMYECF-NGITZIGVSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-14-9-7-12(8-10-14)15-11-16(15)17(18-19)13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3/b18-17-/t15-,16-/m1/s1.
What are the key properties of (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine?
(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine has a molecular weight of 267.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 40542857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).