9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one

C14H24N2O — CID 86820437

IUPAC9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCC2(CCNCC2)CCN1CC1CC1
InChIInChI=1S/C14H24N2O/c17-13-3-4-14(5-8-15-9-6-14)7-10-16(13)11-12-1-2-12/h12,15H,1-11H2
InChIKeyZDJKBKHUTGCOCW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds2

About 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one

9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one (PubChem CID 86820437) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one
PubChem CID86820437
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCC2(CCNCC2)CCN1CC1CC1
InChIInChI=1S/C14H24N2O/c17-13-3-4-14(5-8-15-9-6-14)7-10-16(13)11-12-1-2-12/h12,15H,1-11H2
InChIKeyZDJKBKHUTGCOCW-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one (CID 86820437) is 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one is O=C1CCC2(CCNCC2)CCN1CC1CC1.
What is the InChIKey of 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one?
The InChIKey is ZDJKBKHUTGCOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-13-3-4-14(5-8-15-9-6-14)7-10-16(13)11-12-1-2-12/h12,15H,1-11H2.
What are the key properties of 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one?
9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one has a molecular weight of 236.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3,9-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 86820437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).