(3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one

C11H13NO — CID 142803801

IUPAC(3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one
SMILESC=C1CC(=O)/C(=C\C2CC2)C(=C)N1
InChIInChI=1S/C11H13NO/c1-7-5-11(13)10(8(2)12-7)6-9-3-4-9/h6,9,12H,1-5H2/b10-6-
InChIKeyBQRZDUQVFDPRQV-POHAHGRESA-N
MW175.23 g/mol
LogP1.91
Rot. Bonds1

About (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one

(3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one (PubChem CID 142803801) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one.

Molecular Properties

Compound Name(3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one
PubChem CID142803801
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one
SMILESC=C1CC(=O)/C(=C\C2CC2)C(=C)N1
InChIInChI=1S/C11H13NO/c1-7-5-11(13)10(8(2)12-7)6-9-3-4-9/h6,9,12H,1-5H2/b10-6-
InChIKeyBQRZDUQVFDPRQV-POHAHGRESA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one?
The IUPAC name of (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one (CID 142803801) is (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one.
What is the SMILES notation for (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one?
The canonical SMILES for (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one is C=C1CC(=O)/C(=C\C2CC2)C(=C)N1.
What is the InChIKey of (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one?
The InChIKey is BQRZDUQVFDPRQV-POHAHGRESA-N. The full InChI is InChI=1S/C11H13NO/c1-7-5-11(13)10(8(2)12-7)6-9-3-4-9/h6,9,12H,1-5H2/b10-6-.
What are the key properties of (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one?
(3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one has a molecular weight of 175.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(cyclopropylmethylidene)-2,6-dimethylidenepiperidin-4-one is sourced from PubChem (CID 142803801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).