2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H24ClN3O2 — CID 72911973

IUPAC2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(Cl)cc1C(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H24ClN3O2/c1-20-11-14(19)9-15(20)16(23)22-8-6-18(12-22)5-2-7-21(17(18)24)10-13-3-4-13/h9,11,13H,2-8,10,12H2,1H3
InChIKeyVECSJKUFBFFWFZ-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72911973) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72911973
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cc(Cl)cc1C(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C18H24ClN3O2/c1-20-11-14(19)9-15(20)16(23)22-8-6-18(12-22)5-2-7-21(17(18)24)10-13-3-4-13/h9,11,13H,2-8,10,12H2,1H3
InChIKeyVECSJKUFBFFWFZ-UHFFFAOYSA-N
XLogP2.54
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72911973) is 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is Cn1cc(Cl)cc1C(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VECSJKUFBFFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-20-11-14(19)9-15(20)16(23)22-8-6-18(12-22)5-2-7-21(17(18)24)10-13-3-4-13/h9,11,13H,2-8,10,12H2,1H3.
What are the key properties of 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 349.86 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72911973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).