2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C16H24N6O2 — CID 72864690

IUPAC2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)n1cnnn1)CC2
InChIInChI=1S/C16H24N6O2/c1-3-8-21-11-16(5-4-14(21)23)6-9-20(10-7-16)15(24)13(2)22-12-17-18-19-22/h3,12-13H,1,4-11H2,2H3/t13-/m0/s1
InChIKeyAPARVHBSSCEZJW-ZDUSSCGKSA-N
MW332.41 g/mol
LogP0.65
Rot. Bonds4

About 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72864690) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72864690
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)n1cnnn1)CC2
InChIInChI=1S/C16H24N6O2/c1-3-8-21-11-16(5-4-14(21)23)6-9-20(10-7-16)15(24)13(2)22-12-17-18-19-22/h3,12-13H,1,4-11H2,2H3/t13-/m0/s1
InChIKeyAPARVHBSSCEZJW-ZDUSSCGKSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72864690) is 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)n1cnnn1)CC2.
What is the InChIKey of 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is APARVHBSSCEZJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-3-8-21-11-16(5-4-14(21)23)6-9-20(10-7-16)15(24)13(2)22-12-17-18-19-22/h3,12-13H,1,4-11H2,2H3/t13-/m0/s1.
What are the key properties of 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.41 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-9-[(2S)-2-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72864690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).