(4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine

C20H31N — CID 134342663

IUPAC(4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine
SMILESC=C1C=NC2C(CCC2(C)C)/C1=C/C(CCC)=C(\C)CC
InChIInChI=1S/C20H31N/c1-7-9-16(14(3)8-2)12-18-15(4)13-21-19-17(18)10-11-20(19,5)6/h12-13,17,19H,4,7-11H2,1-3,5-6H3/b16-14+,18-12+
InChIKeySERBGMCEULTTIK-NKUXIOBSSA-N
MW285.47 g/mol
LogP5.88
Rot. Bonds4

About (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine

(4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine (PubChem CID 134342663) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name(4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine
PubChem CID134342663
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name(4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine
SMILESC=C1C=NC2C(CCC2(C)C)/C1=C/C(CCC)=C(\C)CC
InChIInChI=1S/C20H31N/c1-7-9-16(14(3)8-2)12-18-15(4)13-21-19-17(18)10-11-20(19,5)6/h12-13,17,19H,4,7-11H2,1-3,5-6H3/b16-14+,18-12+
InChIKeySERBGMCEULTTIK-NKUXIOBSSA-N
XLogP5.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine?
The IUPAC name of (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine (CID 134342663) is (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine.
What is the SMILES notation for (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine?
The canonical SMILES for (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine is C=C1C=NC2C(CCC2(C)C)/C1=C/C(CCC)=C(\C)CC.
What is the InChIKey of (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine?
The InChIKey is SERBGMCEULTTIK-NKUXIOBSSA-N. The full InChI is InChI=1S/C20H31N/c1-7-9-16(14(3)8-2)12-18-15(4)13-21-19-17(18)10-11-20(19,5)6/h12-13,17,19H,4,7-11H2,1-3,5-6H3/b16-14+,18-12+.
What are the key properties of (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine?
(4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine has a molecular weight of 285.47 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7,7-dimethyl-3-methylidene-4-[(E)-3-methyl-2-propylpent-2-enylidene]-4a,5,6,7a-tetrahydrocyclopenta[b]pyridine is sourced from PubChem (CID 134342663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).