(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one

C11H18N2O — CID 146579634

IUPAC(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one
SMILESCN1C(=O)N=C2CCCCCCC[C@H]21
InChIInChI=1S/C11H18N2O/c1-13-10-8-6-4-2-3-5-7-9(10)12-11(13)14/h10H,2-8H2,1H3/t10-/m1/s1
InChIKeyVUVXQHIWHZHXTH-SNVBAGLBSA-N
MW194.28 g/mol
LogP2.61
Rot. Bonds

About (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one

(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one (PubChem CID 146579634) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one.

Molecular Properties

Compound Name(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one
PubChem CID146579634
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one
SMILESCN1C(=O)N=C2CCCCCCC[C@H]21
InChIInChI=1S/C11H18N2O/c1-13-10-8-6-4-2-3-5-7-9(10)12-11(13)14/h10H,2-8H2,1H3/t10-/m1/s1
InChIKeyVUVXQHIWHZHXTH-SNVBAGLBSA-N
XLogP2.61
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one?
The IUPAC name of (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one (CID 146579634) is (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one.
What is the SMILES notation for (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one?
The canonical SMILES for (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one is CN1C(=O)N=C2CCCCCCC[C@H]21.
What is the InChIKey of (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one?
The InChIKey is VUVXQHIWHZHXTH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-10-8-6-4-2-3-5-7-9(10)12-11(13)14/h10H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one?
(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one is sourced from PubChem (CID 146579634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).