(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine

C12H17NO — CID 143921330

IUPAC(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine
SMILESC=C1CC=CN(C2CC2)/C1=C(/C)OC
InChIInChI=1S/C12H17NO/c1-9-5-4-8-13(11-6-7-11)12(9)10(2)14-3/h4,8,11H,1,5-7H2,2-3H3/b12-10-
InChIKeyHCETWWKIKHEKHH-BENRWUELSA-N
MW191.27 g/mol
LogP2.80
Rot. Bonds2

About (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine

(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine (PubChem CID 143921330) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine.

Molecular Properties

Compound Name(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine
PubChem CID143921330
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine
SMILESC=C1CC=CN(C2CC2)/C1=C(/C)OC
InChIInChI=1S/C12H17NO/c1-9-5-4-8-13(11-6-7-11)12(9)10(2)14-3/h4,8,11H,1,5-7H2,2-3H3/b12-10-
InChIKeyHCETWWKIKHEKHH-BENRWUELSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1-propyl-5H-quinoline
CID 88676642
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
CID 143406798
3-Cyclopropyloxy-2-methyl-2-azabicyclo[5.4.0]undeca-3,5,6,8,10-pentaene
CID 166651091
3-ethenyl-1-ethyl-4-[(E)-2-methoxyprop-1-enyl]-5-methylidene-2H-pyrrole
CID 143510626

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine?
The IUPAC name of (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine (CID 143921330) is (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine.
What is the SMILES notation for (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine?
The canonical SMILES for (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine is C=C1CC=CN(C2CC2)/C1=C(/C)OC.
What is the InChIKey of (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine?
The InChIKey is HCETWWKIKHEKHH-BENRWUELSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-4-8-13(11-6-7-11)12(9)10(2)14-3/h4,8,11H,1,5-7H2,2-3H3/b12-10-.
What are the key properties of (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine?
(2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-cyclopropyl-2-(1-methoxyethylidene)-3-methylidene-4H-pyridine is sourced from PubChem (CID 143921330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).