(Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine

C8H14ClNO — CID 11378804

IUPAC(Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine
SMILESCO/N=C(\CCl)C1CCCC1
InChIInChI=1S/C8H14ClNO/c1-11-10-8(6-9)7-4-2-3-5-7/h7H,2-6H2,1H3/b10-8+
InChIKeyPEPSMMKKMKQPBG-CSKARUKUSA-N
MW175.66 g/mol
LogP2.42
Rot. Bonds3

About (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine

(Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine (PubChem CID 11378804) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine
PubChem CID11378804
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine
SMILESCO/N=C(\CCl)C1CCCC1
InChIInChI=1S/C8H14ClNO/c1-11-10-8(6-9)7-4-2-3-5-7/h7H,2-6H2,1H3/b10-8+
InChIKeyPEPSMMKKMKQPBG-CSKARUKUSA-N
XLogP2.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine?
The IUPAC name of (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine (CID 11378804) is (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine.
What is the SMILES notation for (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine?
The canonical SMILES for (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine is CO/N=C(\CCl)C1CCCC1.
What is the InChIKey of (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine?
The InChIKey is PEPSMMKKMKQPBG-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-11-10-8(6-9)7-4-2-3-5-7/h7H,2-6H2,1H3/b10-8+.
What are the key properties of (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine?
(Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine has a molecular weight of 175.66 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-cyclopentyl-N-methoxyethanimine is sourced from PubChem (CID 11378804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).