2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine

C12H19N — CID 58170797

IUPAC2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
SMILESC=C1C=CC2CCCC2N1C(C)C
InChIInChI=1S/C12H19N/c1-9(2)13-10(3)7-8-11-5-4-6-12(11)13/h7-9,11-12H,3-6H2,1-2H3
InChIKeyMFVSTKXTUIWRBG-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.95
Rot. Bonds1

About 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine

2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine (PubChem CID 58170797) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
PubChem CID58170797
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
SMILESC=C1C=CC2CCCC2N1C(C)C
InChIInChI=1S/C12H19N/c1-9(2)13-10(3)7-8-11-5-4-6-12(11)13/h7-9,11-12H,3-6H2,1-2H3
InChIKeyMFVSTKXTUIWRBG-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
The IUPAC name of 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine (CID 58170797) is 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine.
What is the SMILES notation for 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
The canonical SMILES for 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine is C=C1C=CC2CCCC2N1C(C)C.
What is the InChIKey of 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
The InChIKey is MFVSTKXTUIWRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)13-10(3)7-8-11-5-4-6-12(11)13/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine?
2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine has a molecular weight of 177.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine is sourced from PubChem (CID 58170797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).