(5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one

C9H15NO — CID 30033692

IUPAC(5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one
SMILESCCNC1=CC(=O)C[C@H](C)C1
InChIInChI=1S/C9H15NO/c1-3-10-8-4-7(2)5-9(11)6-8/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySBTDSEIWPKFIFO-SSDOTTSWSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

About (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one

(5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one (PubChem CID 30033692) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one
PubChem CID30033692
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one
SMILESCCNC1=CC(=O)C[C@H](C)C1
InChIInChI=1S/C9H15NO/c1-3-10-8-4-7(2)5-9(11)6-8/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySBTDSEIWPKFIFO-SSDOTTSWSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one?
The IUPAC name of (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one (CID 30033692) is (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one is CCNC1=CC(=O)C[C@H](C)C1.
What is the InChIKey of (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one?
The InChIKey is SBTDSEIWPKFIFO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-10-8-4-7(2)5-9(11)6-8/h6-7,10H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one?
(5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(ethylamino)-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 30033692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).