7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole

C22H30N2 — CID 139316577

IUPAC7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole
SMILESC=C1C(C(C)C)=NC2=C1CC1=C(C2)C(=C(CC)CC)C(C(C)C)=N1
InChIInChI=1S/C22H30N2/c1-8-15(9-2)20-17-11-18-16(14(7)21(23-18)12(3)4)10-19(17)24-22(20)13(5)6/h12-13H,7-11H2,1-6H3
InChIKeyJFINPPSEVGOWKH-UHFFFAOYSA-N
MW322.50 g/mol
LogP6.18
Rot. Bonds4

About 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole

7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole (PubChem CID 139316577) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole.

Molecular Properties

Compound Name7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole
PubChem CID139316577
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole
SMILESC=C1C(C(C)C)=NC2=C1CC1=C(C2)C(=C(CC)CC)C(C(C)C)=N1
InChIInChI=1S/C22H30N2/c1-8-15(9-2)20-17-11-18-16(14(7)21(23-18)12(3)4)10-19(17)24-22(20)13(5)6/h12-13H,7-11H2,1-6H3
InChIKeyJFINPPSEVGOWKH-UHFFFAOYSA-N
XLogP6.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole?
The IUPAC name of 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole (CID 139316577) is 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole.
What is the SMILES notation for 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole?
The canonical SMILES for 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole is C=C1C(C(C)C)=NC2=C1CC1=C(C2)C(=C(CC)CC)C(C(C)C)=N1.
What is the InChIKey of 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole?
The InChIKey is JFINPPSEVGOWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-8-15(9-2)20-17-11-18-16(14(7)21(23-18)12(3)4)10-19(17)24-22(20)13(5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole?
7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole has a molecular weight of 322.50 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-3-pentan-3-ylidene-2,6-di(propan-2-yl)-4,8-dihydropyrrolo[2,3-f]indole is sourced from PubChem (CID 139316577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).