5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide

C16H17N3O2 — CID 126638441

IUPAC5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide
SMILESCC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c21
InChIInChI=1S/C16H17N3O2/c1-16(2)12-11(8-3-4-8)14(15(17)20)19-13(12)9-5-6-18-7-10(9)21-16/h5-8,19H,3-4H2,1-2H3,(H2,17,20)
InChIKeyISQMHRGAJWVQET-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.68
Rot. Bonds2

About 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide

5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide (PubChem CID 126638441) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide
PubChem CID126638441
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide
SMILESCC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c21
InChIInChI=1S/C16H17N3O2/c1-16(2)12-11(8-3-4-8)14(15(17)20)19-13(12)9-5-6-18-7-10(9)21-16/h5-8,19H,3-4H2,1-2H3,(H2,17,20)
InChIKeyISQMHRGAJWVQET-UHFFFAOYSA-N
XLogP2.68
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide?
The IUPAC name of 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide (CID 126638441) is 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide is CC1(C)Oc2cnccc2-c2[nH]c(C(N)=O)c(C3CC3)c21.
What is the InChIKey of 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide?
The InChIKey is ISQMHRGAJWVQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2)12-11(8-3-4-8)14(15(17)20)19-13(12)9-5-6-18-7-10(9)21-16/h5-8,19H,3-4H2,1-2H3,(H2,17,20).
What are the key properties of 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide?
5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7,7-dimethyl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxamide is sourced from PubChem (CID 126638441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).