4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole

C11H12N2 — CID 82411813

IUPAC4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCn1c2c(c3ccccc31)CCN2
InChIInChI=1S/C11H12N2/c1-13-10-5-3-2-4-8(10)9-6-7-12-11(9)13/h2-5,12H,6-7H2,1H3
InChIKeyWQFKAPNROMHWPQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.15
Rot. Bonds

About 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole

4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 82411813) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID82411813
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCn1c2c(c3ccccc31)CCN2
InChIInChI=1S/C11H12N2/c1-13-10-5-3-2-4-8(10)9-6-7-12-11(9)13/h2-5,12H,6-7H2,1H3
InChIKeyWQFKAPNROMHWPQ-UHFFFAOYSA-N
XLogP2.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole
CID 82393965
(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole
CID 132918732
2,9-dimethyl-3,4-dihydrocarbazole
CID 149373411
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716
9-methyl-1,2-dihydropyrimido[4,5-b]indole
CID 151226131
ethane;bis(9-methylcarbazole)
CID 159710949
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 90835395
(13E)-3,24-dimethyl-29-thia-3,24-diazahexacyclo[24.2.1.02,10.04,9.017,25.018,23]nonacosa-1(28),2(10),4,6,8,13,17(25),18,20,22,26-undecaene
CID 122205076
ethane;9-methylcarbazole;triphenylene
CID 142356751
6-chloro-5-methyl-1,2,3,5-tetrahydroazepino[4,5-b]indol-4-one
CID 70098889
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole (CID 82411813) is 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole is Cn1c2c(c3ccccc31)CCN2.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is WQFKAPNROMHWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-13-10-5-3-2-4-8(10)9-6-7-12-11(9)13/h2-5,12H,6-7H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole?
4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 172.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 82411813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).