cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone

C16H24N4O — CID 92565917

IUPACcyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
SMILESCc1nnc2n1[C@H]1CN(C(=O)C3CCCCC3)C[C@H]1CC2
InChIInChI=1S/C16H24N4O/c1-11-17-18-15-8-7-13-9-19(10-14(13)20(11)15)16(21)12-5-3-2-4-6-12/h12-14H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyUNQWCLDGJVVUDG-KGLIPLIRSA-N
MW288.40 g/mol
LogP2.11
Rot. Bonds1

About cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone

cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone (PubChem CID 92565917) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
PubChem CID92565917
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Namecyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone
SMILESCc1nnc2n1[C@H]1CN(C(=O)C3CCCCC3)C[C@H]1CC2
InChIInChI=1S/C16H24N4O/c1-11-17-18-15-8-7-13-9-19(10-14(13)20(11)15)16(21)12-5-3-2-4-6-12/h12-14H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyUNQWCLDGJVVUDG-KGLIPLIRSA-N
XLogP2.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
The IUPAC name of cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone (CID 92565917) is cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone is Cc1nnc2n1[C@H]1CN(C(=O)C3CCCCC3)C[C@H]1CC2.
What is the InChIKey of cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
The InChIKey is UNQWCLDGJVVUDG-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-17-18-15-8-7-13-9-19(10-14(13)20(11)15)16(21)12-5-3-2-4-6-12/h12-14H,2-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone?
cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone has a molecular weight of 288.40 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R,6R)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-dien-4-yl]methanone is sourced from PubChem (CID 92565917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).