3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide

C16H28N4O2 — CID 70738561

IUPAC3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide
SMILESC=CCN1CCC2(CCC1=O)CN(CCC(N)=O)CCN2C
InChIInChI=1S/C16H28N4O2/c1-3-8-20-10-7-16(6-4-15(20)22)13-19(9-5-14(17)21)12-11-18(16)2/h3H,1,4-13H2,2H3,(H2,17,21)
InChIKeyAKBKYNIWPVMQHX-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.05
Rot. Bonds5

About 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide

3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide (PubChem CID 70738561) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide
PubChem CID70738561
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide
SMILESC=CCN1CCC2(CCC1=O)CN(CCC(N)=O)CCN2C
InChIInChI=1S/C16H28N4O2/c1-3-8-20-10-7-16(6-4-15(20)22)13-19(9-5-14(17)21)12-11-18(16)2/h3H,1,4-13H2,2H3,(H2,17,21)
InChIKeyAKBKYNIWPVMQHX-UHFFFAOYSA-N
XLogP0.05
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide?
The IUPAC name of 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide (CID 70738561) is 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide.
What is the SMILES notation for 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide?
The canonical SMILES for 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide is C=CCN1CCC2(CCC1=O)CN(CCC(N)=O)CCN2C.
What is the InChIKey of 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide?
The InChIKey is AKBKYNIWPVMQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-8-20-10-7-16(6-4-15(20)22)13-19(9-5-14(17)21)12-11-18(16)2/h3H,1,4-13H2,2H3,(H2,17,21).
What are the key properties of 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide?
3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-4-yl)propanamide is sourced from PubChem (CID 70738561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).