7H-pyrido[1,2-a]indol-6-one;hydrochloride

C12H10ClNO — CID 86746430

IUPAC7H-pyrido[1,2-a]indol-6-one;hydrochloride
SMILESCl.O=C1CC=Cc2cc3ccccc3n21
InChIInChI=1S/C12H9NO.ClH/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12;/h1-6,8H,7H2;1H
InChIKeyCCSRNCVMQVTSME-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.12
Rot. Bonds

About 7H-pyrido[1,2-a]indol-6-one;hydrochloride

7H-pyrido[1,2-a]indol-6-one;hydrochloride (PubChem CID 86746430) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 7H-pyrido[1,2-a]indol-6-one;hydrochloride.

Molecular Properties

Compound Name7H-pyrido[1,2-a]indol-6-one;hydrochloride
PubChem CID86746430
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name7H-pyrido[1,2-a]indol-6-one;hydrochloride
SMILESCl.O=C1CC=Cc2cc3ccccc3n21
InChIInChI=1S/C12H9NO.ClH/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12;/h1-6,8H,7H2;1H
InChIKeyCCSRNCVMQVTSME-UHFFFAOYSA-N
XLogP3.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3H-pyrazino[1,2-a]indol-4-one
CID 141364552
9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 10821901
3H-diazepino[1,7-a]indole
CID 14002687
1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
CID 122555450
2-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
CID 12820627
8H-indolizino[1,2-b]quinolin-9-one
CID 69005158
8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
CID 15063399
2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one
CID 163751220
9-ethyl-9-hydroxy-7,8-dihydropyrido[1,2-a]indol-6-one
CID 71469389
1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 10559092
anthracene;cyclohexa-2,4-dien-1-one
CID 174866475
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817

Frequently Asked Questions

What is the IUPAC name of 7H-pyrido[1,2-a]indol-6-one;hydrochloride?
The IUPAC name of 7H-pyrido[1,2-a]indol-6-one;hydrochloride (CID 86746430) is 7H-pyrido[1,2-a]indol-6-one;hydrochloride.
What is the SMILES notation for 7H-pyrido[1,2-a]indol-6-one;hydrochloride?
The canonical SMILES for 7H-pyrido[1,2-a]indol-6-one;hydrochloride is Cl.O=C1CC=Cc2cc3ccccc3n21.
What is the InChIKey of 7H-pyrido[1,2-a]indol-6-one;hydrochloride?
The InChIKey is CCSRNCVMQVTSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.ClH/c14-12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12;/h1-6,8H,7H2;1H.
What are the key properties of 7H-pyrido[1,2-a]indol-6-one;hydrochloride?
7H-pyrido[1,2-a]indol-6-one;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrido[1,2-a]indol-6-one;hydrochloride is sourced from PubChem (CID 86746430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).