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(4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

C17H21ClN2O2 — CID 134787788

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCC(C)C1=NOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H21ClN2O2/c1-12(2)15-11-17(22-19-15)7-9-20(10-8-17)16(21)13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyRMLNTTMPKXVBGL-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.75
Rot. Bonds2

About (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone

(4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (PubChem CID 134787788) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
PubChem CID134787788
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
SMILESCC(C)C1=NOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H21ClN2O2/c1-12(2)15-11-17(22-19-15)7-9-20(10-8-17)16(21)13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyRMLNTTMPKXVBGL-UHFFFAOYSA-N
XLogP3.75
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone (CID 134787788) is (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is CC(C)C1=NOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
The InChIKey is RMLNTTMPKXVBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12(2)15-11-17(22-19-15)7-9-20(10-8-17)16(21)13-3-5-14(18)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone?
(4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone has a molecular weight of 320.82 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone is sourced from PubChem (CID 134787788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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