8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

C16H21ClN2O — CID 82047377

IUPAC8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESClc1cccc2c1OC1(CCNC1)CC2N1CCCC1
InChIInChI=1S/C16H21ClN2O/c17-13-5-3-4-12-14(19-8-1-2-9-19)10-16(20-15(12)13)6-7-18-11-16/h3-5,14,18H,1-2,6-11H2
InChIKeyISGRQIQXXWEMGN-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.99
Rot. Bonds1

About 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (PubChem CID 82047377) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
PubChem CID82047377
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESClc1cccc2c1OC1(CCNC1)CC2N1CCCC1
InChIInChI=1S/C16H21ClN2O/c17-13-5-3-4-12-14(19-8-1-2-9-19)10-16(20-15(12)13)6-7-18-11-16/h3-5,14,18H,1-2,6-11H2
InChIKeyISGRQIQXXWEMGN-UHFFFAOYSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] with MolForge

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Related Compounds

8-methyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047381
7-methyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047382
4-morpholin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046973
6,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047387
6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045909
5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047388
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
CID 82045927
spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol
CID 82045930
1-[(5R)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
CID 827289
8-chloro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188575
4-ethoxy-8-methylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046867
2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane
CID 102849461

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The IUPAC name of 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (CID 82047377) is 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].
What is the SMILES notation for 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The canonical SMILES for 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is Clc1cccc2c1OC1(CCNC1)CC2N1CCCC1.
What is the InChIKey of 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The InChIKey is ISGRQIQXXWEMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-13-5-3-4-12-14(19-8-1-2-9-19)10-16(20-15(12)13)6-7-18-11-16/h3-5,14,18H,1-2,6-11H2.
What are the key properties of 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] has a molecular weight of 292.81 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82047377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).