(4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C14H21ClN2O2 — CID 102785689

IUPAC(4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCCCn1cc(Cl)cc1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H21ClN2O2/c1-3-5-16-8-11(15)7-12(16)14(19)17-6-4-10(2)13(17)9-18/h7-8,10,13,18H,3-6,9H2,1-2H3
InChIKeyJZBXRZOULKJHBI-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.39
Rot. Bonds4

About (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102785689) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102785689
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCCCn1cc(Cl)cc1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C14H21ClN2O2/c1-3-5-16-8-11(15)7-12(16)14(19)17-6-4-10(2)13(17)9-18/h7-8,10,13,18H,3-6,9H2,1-2H3
InChIKeyJZBXRZOULKJHBI-UHFFFAOYSA-N
XLogP2.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrrol-2-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261068
(4-chloro-1-propylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291483
(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763816
(4-chloro-1-propylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550757
methyl 1-(4-chloro-1-propylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971175
(4-chloro-1-propylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 43639746
(4-chloro-1-propylpyrrol-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281905
1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032165
(4-amino-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102776897
(3,5-dichloro-2-iodophenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784634
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 102737812
2-[1-(4-chloro-1-propylpyrrole-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680977

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102785689) is (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CCCn1cc(Cl)cc1C(=O)N1CCC(C)C1CO.
What is the InChIKey of (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is JZBXRZOULKJHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-5-16-8-11(15)7-12(16)14(19)17-6-4-10(2)13(17)9-18/h7-8,10,13,18H,3-6,9H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 284.79 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102785689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).