4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one

C16H21N3O — CID 97356822

IUPAC4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
SMILESCN(C)CCCn1c2c(c3ccccc31)CN(C)C2=O
InChIInChI=1S/C16H21N3O/c1-17(2)9-6-10-19-14-8-5-4-7-12(14)13-11-18(3)16(20)15(13)19/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyQZTQQAVCEWURRJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.18
Rot. Bonds4

About 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one

4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one (PubChem CID 97356822) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
PubChem CID97356822
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one
SMILESCN(C)CCCn1c2c(c3ccccc31)CN(C)C2=O
InChIInChI=1S/C16H21N3O/c1-17(2)9-6-10-19-14-8-5-4-7-12(14)13-11-18(3)16(20)15(13)19/h4-5,7-8H,6,9-11H2,1-3H3
InChIKeyQZTQQAVCEWURRJ-UHFFFAOYSA-N
XLogP2.18
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 90835395
3-(3-ethylidene-2-methylideneindol-1-yl)-N,N-dimethylpropan-1-amine
CID 91345374
5-[3-(dimethylamino)propyl]thieno[3,2-c]quinolin-4-one
CID 1211818
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
3-[3-(dimethylamino)propyl]-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
CID 67874484
3-(2,4-difluorocarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 138115553
2-[3-(dimethylamino)propyl]-1-phenylisoquinolin-3-one
CID 71325764
2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one
CID 134117126
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 23623279
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
CID 1403670
9-acetyl-6-[3-(dimethylamino)propyl]-8-methoxy-2-methyl-1H-pyrrolo[3,4-c]carbazol-3-one
CID 45380802

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one?
The IUPAC name of 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one (CID 97356822) is 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one is CN(C)CCCn1c2c(c3ccccc31)CN(C)C2=O.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one?
The InChIKey is QZTQQAVCEWURRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17(2)9-6-10-19-14-8-5-4-7-12(14)13-11-18(3)16(20)15(13)19/h4-5,7-8H,6,9-11H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one?
4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-2-methyl-1H-pyrrolo[3,4-b]indol-3-one is sourced from PubChem (CID 97356822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).