(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C18H19ClN2O2 — CID 56817132

IUPAC(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1COc2ccc(Cl)cc2C1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H19ClN2O2/c19-14-5-6-17-12(10-14)9-13(11-23-17)18(22)21-8-2-4-16(21)15-3-1-7-20-15/h1,3,5-7,10,13,16,20H,2,4,8-9,11H2
InChIKeyLERJDSAMTSXFJO-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.58
Rot. Bonds2

About (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 56817132) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID56817132
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1COc2ccc(Cl)cc2C1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H19ClN2O2/c19-14-5-6-17-12(10-14)9-13(11-23-17)18(22)21-8-2-4-16(21)15-3-1-7-20-15/h1,3,5-7,10,13,16,20H,2,4,8-9,11H2
InChIKeyLERJDSAMTSXFJO-UHFFFAOYSA-N
XLogP3.58
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 119631032
azepan-1-yl-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]methanone
CID 8547957
(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453
3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579738
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 47168182
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768401
1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 8967651
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 120657795
2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 95232987
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 27344036
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17417053

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 56817132) is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C(C1COc2ccc(Cl)cc2C1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LERJDSAMTSXFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-5-6-17-12(10-14)9-13(11-23-17)18(22)21-8-2-4-16(21)15-3-1-7-20-15/h1,3,5-7,10,13,16,20H,2,4,8-9,11H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 330.81 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56817132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).