2-bromocyclopropa[b]indol-1-one

C9H4BrNO — CID 142688364

IUPAC2-bromocyclopropa[b]indol-1-one
SMILESO=c1c2c3ccccc3n(Br)c12
InChIInChI=1S/C9H4BrNO/c10-11-6-4-2-1-3-5(6)7-8(11)9(7)12/h1-4H
InChIKeyAMPNBTMAYRWSIK-UHFFFAOYSA-N
MW222.04 g/mol
LogP2.19
Rot. Bonds

About 2-bromocyclopropa[b]indol-1-one

2-bromocyclopropa[b]indol-1-one (PubChem CID 142688364) has the molecular formula C9H4BrNO and a molecular weight of 222.04 g/mol. Its IUPAC name is 2-bromocyclopropa[b]indol-1-one.

Molecular Properties

Compound Name2-bromocyclopropa[b]indol-1-one
PubChem CID142688364
Molecular FormulaC9H4BrNO
Molecular Weight222.04 g/mol
Exact Mass220.95
IUPAC Name2-bromocyclopropa[b]indol-1-one
SMILESO=c1c2c3ccccc3n(Br)c12
InChIInChI=1S/C9H4BrNO/c10-11-6-4-2-1-3-5(6)7-8(11)9(7)12/h1-4H
InChIKeyAMPNBTMAYRWSIK-UHFFFAOYSA-N
XLogP2.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.04
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromocyclopropa[b]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-bromocarbazol-1-ol
CID 118380474
3,19-diphenyl-3,19-diazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4,6,8,12,14,16,20,22,24-undecaene-10,26-dione
CID 146334080
11-iodobenzo[b][1]benzazepine-5,6-dione
CID 139448452
1-bromo-2-methylindazol-3-one
CID 140854699
3-bromo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10,12,14-heptaen-4-one
CID 21252817
3-bromo-1-methylquinolin-4-one
CID 23279589
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729733
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene-9,18,21-trione
CID 42643402
octacyclo[13.13.0.02,7.03,27.09,14.013,17.016,21.023,28]octacosa-1(15),2,4,6,9,11,13,16,18,20,23,25,27-tridecaene-8,22-dione
CID 146168507
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842

Frequently Asked Questions

What is the IUPAC name of 2-bromocyclopropa[b]indol-1-one?
The IUPAC name of 2-bromocyclopropa[b]indol-1-one (CID 142688364) is 2-bromocyclopropa[b]indol-1-one.
What is the SMILES notation for 2-bromocyclopropa[b]indol-1-one?
The canonical SMILES for 2-bromocyclopropa[b]indol-1-one is O=c1c2c3ccccc3n(Br)c12.
What is the InChIKey of 2-bromocyclopropa[b]indol-1-one?
The InChIKey is AMPNBTMAYRWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrNO/c10-11-6-4-2-1-3-5(6)7-8(11)9(7)12/h1-4H.
What are the key properties of 2-bromocyclopropa[b]indol-1-one?
2-bromocyclopropa[b]indol-1-one has a molecular weight of 222.04 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclopropa[b]indol-1-one is sourced from PubChem (CID 142688364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).