(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C15H21ClN2O2 — CID 63763816

IUPAC(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCCn1cc(Cl)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H21ClN2O2/c1-2-5-17-9-10(16)6-14(17)15(20)18-11-3-4-12(18)8-13(19)7-11/h6,9,11-13,19H,2-5,7-8H2,1H3
InChIKeyFHXZWQKDRDCAMY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.68
Rot. Bonds3

About (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63763816) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63763816
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCCCn1cc(Cl)cc1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H21ClN2O2/c1-2-5-17-9-10(16)6-14(17)15(20)18-11-3-4-12(18)8-13(19)7-11/h6,9,11-13,19H,2-5,7-8H2,1H3
InChIKeyFHXZWQKDRDCAMY-UHFFFAOYSA-N
XLogP2.68
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63763816) is (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CCCn1cc(Cl)cc1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is FHXZWQKDRDCAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-5-17-9-10(16)6-14(17)15(20)18-11-3-4-12(18)8-13(19)7-11/h6,9,11-13,19H,2-5,7-8H2,1H3.
What are the key properties of (4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-chloro-1-propylpyrrol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 2.68, 3 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)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63763816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).