N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide

C14H23ClN2O2 — CID 62931718

IUPACN-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide
SMILESO=C(CCCl)NC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H23ClN2O2/c15-9-4-12(18)16-13(19)17-10-7-14(8-11-17)5-2-1-3-6-14/h1-11H2,(H,16,18,19)
InChIKeyCJNWYNQDANZQQQ-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.90
Rot. Bonds2

About N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide

N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 62931718) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide
PubChem CID62931718
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide
SMILESO=C(CCCl)NC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H23ClN2O2/c15-9-4-12(18)16-13(19)17-10-7-14(8-11-17)5-2-1-3-6-14/h1-11H2,(H,16,18,19)
InChIKeyCJNWYNQDANZQQQ-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide (CID 62931718) is N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide is O=C(CCCl)NC(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is CJNWYNQDANZQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c15-9-4-12(18)16-13(19)17-10-7-14(8-11-17)5-2-1-3-6-14/h1-11H2,(H,16,18,19).
What are the key properties of N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide?
N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 286.80 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)-3-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 62931718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).