(7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C11H18N2O — CID 155475235

IUPAC(7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(C)N1C=C2CCC[C@]2(C)NC1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-9-5-4-6-11(9,3)12-10(13)14/h7-8H,4-6H2,1-3H3,(H,12,14)/t11-/m0/s1
InChIKeySBTMXKUZMXBOOG-NSHDSACASA-N
MW194.28 g/mol
LogP2.25
Rot. Bonds1

About (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

(7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 155475235) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name(7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID155475235
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCC(C)N1C=C2CCC[C@]2(C)NC1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-9-5-4-6-11(9,3)12-10(13)14/h7-8H,4-6H2,1-3H3,(H,12,14)/t11-/m0/s1
InChIKeySBTMXKUZMXBOOG-NSHDSACASA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 155475235) is (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is CC(C)N1C=C2CCC[C@]2(C)NC1=O.
What is the InChIKey of (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is SBTMXKUZMXBOOG-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-7-9-5-4-6-11(9,3)12-10(13)14/h7-8H,4-6H2,1-3H3,(H,12,14)/t11-/m0/s1.
What are the key properties of (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
(7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-7a-methyl-3-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 155475235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).