3-(dimethylamino)-2H-pentalen-1-one

C10H11NO — CID 4619460

IUPAC3-(dimethylamino)-2H-pentalen-1-one
SMILESCN(C)C1=C2C=CC=C2C(=O)C1
InChIInChI=1S/C10H11NO/c1-11(2)9-6-10(12)8-5-3-4-7(8)9/h3-5H,6H2,1-2H3
InChIKeyYVUGMOUACPMBME-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.27
Rot. Bonds1

About 3-(dimethylamino)-2H-pentalen-1-one

3-(dimethylamino)-2H-pentalen-1-one (PubChem CID 4619460) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(dimethylamino)-2H-pentalen-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-2H-pentalen-1-one
PubChem CID4619460
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-(dimethylamino)-2H-pentalen-1-one
SMILESCN(C)C1=C2C=CC=C2C(=O)C1
InChIInChI=1S/C10H11NO/c1-11(2)9-6-10(12)8-5-3-4-7(8)9/h3-5H,6H2,1-2H3
InChIKeyYVUGMOUACPMBME-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2H-pentalen-1-one?
The IUPAC name of 3-(dimethylamino)-2H-pentalen-1-one (CID 4619460) is 3-(dimethylamino)-2H-pentalen-1-one.
What is the SMILES notation for 3-(dimethylamino)-2H-pentalen-1-one?
The canonical SMILES for 3-(dimethylamino)-2H-pentalen-1-one is CN(C)C1=C2C=CC=C2C(=O)C1.
What is the InChIKey of 3-(dimethylamino)-2H-pentalen-1-one?
The InChIKey is YVUGMOUACPMBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11(2)9-6-10(12)8-5-3-4-7(8)9/h3-5H,6H2,1-2H3.
What are the key properties of 3-(dimethylamino)-2H-pentalen-1-one?
3-(dimethylamino)-2H-pentalen-1-one has a molecular weight of 161.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2H-pentalen-1-one is sourced from PubChem (CID 4619460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).