1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C17H21NO2 — CID 134793070

IUPAC1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(CC3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C17H21NO2/c19-15-11-17(20-16-4-2-1-3-14(15)16)7-9-18(10-8-17)12-13-5-6-13/h1-4,13H,5-12H2
InChIKeyTUTLXESIKSDRAR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds2

About 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 134793070) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID134793070
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(CC3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C17H21NO2/c19-15-11-17(20-16-4-2-1-3-14(15)16)7-9-18(10-8-17)12-13-5-6-13/h1-4,13H,5-12H2
InChIKeyTUTLXESIKSDRAR-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 134793070) is 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(CC3CC3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is TUTLXESIKSDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-15-11-17(20-16-4-2-1-3-14(15)16)7-9-18(10-8-17)12-13-5-6-13/h1-4,13H,5-12H2.
What are the key properties of 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 134793070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).