(Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride

C11H12ClNO — CID 166903755

IUPAC(Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride
SMILESCl/C(=N\OCC1CC1)c1ccccc1
InChIInChI=1S/C11H12ClNO/c12-11(10-4-2-1-3-5-10)13-14-8-9-6-7-9/h1-5,9H,6-8H2/b13-11-
InChIKeyUYWQGFFWNJTNGX-QBFSEMIESA-N
MW209.68 g/mol
LogP3.01
Rot. Bonds4

About (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride

(Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride (PubChem CID 166903755) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride
PubChem CID166903755
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride
SMILESCl/C(=N\OCC1CC1)c1ccccc1
InChIInChI=1S/C11H12ClNO/c12-11(10-4-2-1-3-5-10)13-14-8-9-6-7-9/h1-5,9H,6-8H2/b13-11-
InChIKeyUYWQGFFWNJTNGX-QBFSEMIESA-N
XLogP3.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine
CID 89317490
2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
CID 139059157
N-cyclopropylbenzenecarboximidoyl chloride
CID 7130957
N-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 175548396
N-(oxiran-2-ylmethoxy)-1,1-diphenylmethanimine
CID 11054172
tert-butyl N-[1-[(E)-N-(cyclopropylmethoxy)-C-phenylcarbonimidoyl]piperidin-4-yl]carbamate
CID 166903852
cyclopropylmethoxybenzene
CID 12712156
4-chloro-2-(cyclopropylmethoxyiminomethyl)phenol
CID 136832239
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine
CID 54051290
4-(cyclohexylmethoxy)-1-phenylbutan-1-one
CID 62382636
N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide
CID 135515530

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride?
The IUPAC name of (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride (CID 166903755) is (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride.
What is the SMILES notation for (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride?
The canonical SMILES for (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride is Cl/C(=N\OCC1CC1)c1ccccc1.
What is the InChIKey of (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride?
The InChIKey is UYWQGFFWNJTNGX-QBFSEMIESA-N. The full InChI is InChI=1S/C11H12ClNO/c12-11(10-4-2-1-3-5-10)13-14-8-9-6-7-9/h1-5,9H,6-8H2/b13-11-.
What are the key properties of (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride?
(Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride has a molecular weight of 209.68 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(cyclopropylmethoxy)benzenecarboximidoyl chloride is sourced from PubChem (CID 166903755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).