4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]

C18H18ClN — CID 164528258

IUPAC4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]
SMILESCc1cnc2c(c1Cl)C1(CCCCC1)c1ccccc1-2
InChIInChI=1S/C18H18ClN/c1-12-11-20-17-13-7-3-4-8-14(13)18(15(17)16(12)19)9-5-2-6-10-18/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyMAJKFPIYRLPZGX-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.27
Rot. Bonds

About 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]

4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine] (PubChem CID 164528258) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine].

Molecular Properties

Compound Name4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]
PubChem CID164528258
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]
SMILESCc1cnc2c(c1Cl)C1(CCCCC1)c1ccccc1-2
InChIInChI=1S/C18H18ClN/c1-12-11-20-17-13-7-3-4-8-14(13)18(15(17)16(12)19)9-5-2-6-10-18/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyMAJKFPIYRLPZGX-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]?
The IUPAC name of 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine] (CID 164528258) is 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine].
What is the SMILES notation for 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]?
The canonical SMILES for 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine] is Cc1cnc2c(c1Cl)C1(CCCCC1)c1ccccc1-2.
What is the InChIKey of 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]?
The InChIKey is MAJKFPIYRLPZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-12-11-20-17-13-7-3-4-8-14(13)18(15(17)16(12)19)9-5-2-6-10-18/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine]?
4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine] has a molecular weight of 283.80 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-chloro-3'-methylspiro[cyclohexane-1,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 164528258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).