(3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C15H20N2 — CID 11470216

IUPAC(3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESC=CC[C@@]12CCN(C)[C@@H]1N(C)c1ccccc12
InChIInChI=1S/C15H20N2/c1-4-9-15-10-11-16(2)14(15)17(3)13-8-6-5-7-12(13)15/h4-8,14H,1,9-11H2,2-3H3/t14-,15+/m1/s1
InChIKeyYYNVODAUICQSSD-CABCVRRESA-N
MW228.34 g/mol
LogP2.61
Rot. Bonds2

About (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

(3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 11470216) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID11470216
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESC=CC[C@@]12CCN(C)[C@@H]1N(C)c1ccccc12
InChIInChI=1S/C15H20N2/c1-4-9-15-10-11-16(2)14(15)17(3)13-8-6-5-7-12(13)15/h4-8,14H,1,9-11H2,2-3H3/t14-,15+/m1/s1
InChIKeyYYNVODAUICQSSD-CABCVRRESA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[(3aR,8bS)-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-enal
CID 101173198
[(3aR,8bR)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 70688507
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
4-benzyl-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 44562321
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol
CID 102175723
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
[(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]-phenylmethanone
CID 22215715
[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid
CID 70163362
(8bS)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 135031651
(4aR,9aS)-1,9-dimethyl-4a-[(4-propan-2-ylphenyl)methyl]-4,9a-dihydro-3H-pyrido[2,3-b]indol-2-one
CID 132599189

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 11470216) is (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is C=CC[C@@]12CCN(C)[C@@H]1N(C)c1ccccc12.
What is the InChIKey of (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is YYNVODAUICQSSD-CABCVRRESA-N. The full InChI is InChI=1S/C15H20N2/c1-4-9-15-10-11-16(2)14(15)17(3)13-8-6-5-7-12(13)15/h4-8,14H,1,9-11H2,2-3H3/t14-,15+/m1/s1.
What are the key properties of (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
(3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 228.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 11470216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).