3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine

C19H22N2O — CID 82047190

IUPAC3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine
SMILESNCCCN1CCC2(C=Cc3ccc4ccccc4c3O2)C1
InChIInChI=1S/C19H22N2O/c20-11-3-12-21-13-10-19(14-21)9-8-16-7-6-15-4-1-2-5-17(15)18(16)22-19/h1-2,4-9H,3,10-14,20H2
InChIKeyPTVUKJOLBADYMN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.04
Rot. Bonds3

About 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine

3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine (PubChem CID 82047190) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine.

Molecular Properties

Compound Name3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine
PubChem CID82047190
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine
SMILESNCCCN1CCC2(C=Cc3ccc4ccccc4c3O2)C1
InChIInChI=1S/C19H22N2O/c20-11-3-12-21-13-10-19(14-21)9-8-16-7-6-15-4-1-2-5-17(15)18(16)22-19/h1-2,4-9H,3,10-14,20H2
InChIKeyPTVUKJOLBADYMN-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine?
The IUPAC name of 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine (CID 82047190) is 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine.
What is the SMILES notation for 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine?
The canonical SMILES for 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine is NCCCN1CCC2(C=Cc3ccc4ccccc4c3O2)C1.
What is the InChIKey of 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine?
The InChIKey is PTVUKJOLBADYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c20-11-3-12-21-13-10-19(14-21)9-8-16-7-6-15-4-1-2-5-17(15)18(16)22-19/h1-2,4-9H,3,10-14,20H2.
What are the key properties of 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine?
3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[benzo[h]chromene-2,3'-pyrrolidine]-1'-ylpropan-1-amine is sourced from PubChem (CID 82047190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).