5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one

C14H23ClN2O3 — CID 60954153

IUPAC5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
SMILESO=C(C1CCCN1C(=O)CCCCCl)N1CCOCC1
InChIInChI=1S/C14H23ClN2O3/c15-6-2-1-5-13(18)17-7-3-4-12(17)14(19)16-8-10-20-11-9-16/h12H,1-11H2
InChIKeyBQBJAFISHJMNEQ-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.25
Rot. Bonds5

About 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one

5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 60954153) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID60954153
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
SMILESO=C(C1CCCN1C(=O)CCCCCl)N1CCOCC1
InChIInChI=1S/C14H23ClN2O3/c15-6-2-1-5-13(18)17-7-3-4-12(17)14(19)16-8-10-20-11-9-16/h12H,1-11H2
InChIKeyBQBJAFISHJMNEQ-UHFFFAOYSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
1-(4-chlorophenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305907
1-(5-chloropentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60949379
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 118790095
1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-7-[4-(2-propan-2-ylphenyl)piperazin-1-yl]heptan-1-one
CID 118731355
[1-(1-aminocyclopentanecarbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 60939117
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-chloropentan-1-one
CID 65319414
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one (CID 60954153) is 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one is O=C(C1CCCN1C(=O)CCCCCl)N1CCOCC1.
What is the InChIKey of 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is BQBJAFISHJMNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3/c15-6-2-1-5-13(18)17-7-3-4-12(17)14(19)16-8-10-20-11-9-16/h12H,1-11H2.
What are the key properties of 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one?
5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 302.80 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 60954153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).