8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole

C19H26N2 — CID 135211030

IUPAC8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole
SMILESC/C=C\C1=C(C(C)C)C(C)(C)C2=C(C1)C1=CC=CNC1N2
InChIInChI=1S/C19H26N2/c1-6-8-13-11-15-14-9-7-10-20-18(14)21-17(15)19(4,5)16(13)12(2)3/h6-10,12,18,20-21H,11H2,1-5H3/b8-6-
InChIKeyKWEPQJVXFKISIR-VURMDHGXSA-N
MW282.43 g/mol
LogP4.17
Rot. Bonds2

About 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole

8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole (PubChem CID 135211030) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole.

Molecular Properties

Compound Name8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole
PubChem CID135211030
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole
SMILESC/C=C\C1=C(C(C)C)C(C)(C)C2=C(C1)C1=CC=CNC1N2
InChIInChI=1S/C19H26N2/c1-6-8-13-11-15-14-9-7-10-20-18(14)21-17(15)19(4,5)16(13)12(2)3/h6-10,12,18,20-21H,11H2,1-5H3/b8-6-
InChIKeyKWEPQJVXFKISIR-VURMDHGXSA-N
XLogP4.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole?
The IUPAC name of 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole (CID 135211030) is 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole.
What is the SMILES notation for 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole?
The canonical SMILES for 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole is C/C=C\C1=C(C(C)C)C(C)(C)C2=C(C1)C1=CC=CNC1N2.
What is the InChIKey of 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole?
The InChIKey is KWEPQJVXFKISIR-VURMDHGXSA-N. The full InChI is InChI=1S/C19H26N2/c1-6-8-13-11-15-14-9-7-10-20-18(14)21-17(15)19(4,5)16(13)12(2)3/h6-10,12,18,20-21H,11H2,1-5H3/b8-6-.
What are the key properties of 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole?
8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole has a molecular weight of 282.43 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-propan-2-yl-6-[(Z)-prop-1-enyl]-1,5,9,9a-tetrahydropyrido[2,3-b]indole is sourced from PubChem (CID 135211030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).