(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride

C20H27ClN2O — CID 120990522

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CC3(CC3)c3ccccc31)C2
InChIInChI=1S/C20H26N2O.ClH/c21-18-13-4-3-5-14(18)11-15(10-13)19(23)22-12-20(8-9-20)16-6-1-2-7-17(16)22;/h1-2,6-7,13-15,18H,3-5,8-12,21H2;1H
InChIKeyAZDIRCOACNLVKB-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.64
Rot. Bonds1

About (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride (PubChem CID 120990522) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
PubChem CID120990522
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CC3(CC3)c3ccccc31)C2
InChIInChI=1S/C20H26N2O.ClH/c21-18-13-4-3-5-14(18)11-15(10-13)19(23)22-12-20(8-9-20)16-6-1-2-7-17(16)22;/h1-2,6-7,13-15,18H,3-5,8-12,21H2;1H
InChIKeyAZDIRCOACNLVKB-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride (CID 120990522) is (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CC3(CC3)c3ccccc31)C2.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
The InChIKey is AZDIRCOACNLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c21-18-13-4-3-5-14(18)11-15(10-13)19(23)22-12-20(8-9-20)16-6-1-2-7-17(16)22;/h1-2,6-7,13-15,18H,3-5,8-12,21H2;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120990522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).