(6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone

C12H19NO — CID 3050744

IUPAC(6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CC=CCC1C(=O)N1CCCC1
InChIInChI=1S/C12H19NO/c1-10-6-2-3-7-11(10)12(14)13-8-4-5-9-13/h2-3,10-11H,4-9H2,1H3
InChIKeyKDXXJGFMQTYNRB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.21
Rot. Bonds1

About (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone

(6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 3050744) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID3050744
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CC=CCC1C(=O)N1CCCC1
InChIInChI=1S/C12H19NO/c1-10-6-2-3-7-11(10)12(14)13-8-4-5-9-13/h2-3,10-11H,4-9H2,1H3
InChIKeyKDXXJGFMQTYNRB-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone (CID 3050744) is (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone is CC1CC=CCC1C(=O)N1CCCC1.
What is the InChIKey of (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KDXXJGFMQTYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-6-2-3-7-11(10)12(14)13-8-4-5-9-13/h2-3,10-11H,4-9H2,1H3.
What are the key properties of (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
(6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 193.29 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3050744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).