(5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C21H32N2O2 — CID 42148014

IUPAC(5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1=CCCCC1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C21H32N2O2/c24-19(14-17-6-2-1-3-7-17)23-13-11-21(16-23)10-5-12-22(20(21)25)15-18-8-4-9-18/h6,18H,1-5,7-16H2/t21-/m1/s1
InChIKeyYHANXVIPXMBUJQ-OAQYLSRUSA-N
MW344.50 g/mol
LogP3.52
Rot. Bonds4

About (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42148014) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42148014
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC1=CCCCC1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C21H32N2O2/c24-19(14-17-6-2-1-3-7-17)23-13-11-21(16-23)10-5-12-22(20(21)25)15-18-8-4-9-18/h6,18H,1-5,7-16H2/t21-/m1/s1
InChIKeyYHANXVIPXMBUJQ-OAQYLSRUSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 42148014) is (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(CC1=CCCCC1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YHANXVIPXMBUJQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-19(14-17-6-2-1-3-7-17)23-13-11-21(16-23)10-5-12-22(20(21)25)15-18-8-4-9-18/h6,18H,1-5,7-16H2/t21-/m1/s1.
What are the key properties of (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.50 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42148014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).