(5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione

C14H21N3O3 — CID 59955819

IUPAC(5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)/C(=C2/CCC(C)N2CC)C(=O)N(C)C1=O
InChIInChI=1S/C14H21N3O3/c1-5-16-9(3)7-8-10(16)11-12(18)15(4)14(20)17(6-2)13(11)19/h9H,5-8H2,1-4H3/b11-10-
InChIKeyHREVPMWOVFJKGZ-KHPPLWFESA-N
MW279.34 g/mol
LogP1.19
Rot. Bonds2

About (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione

(5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 59955819) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione
PubChem CID59955819
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)/C(=C2/CCC(C)N2CC)C(=O)N(C)C1=O
InChIInChI=1S/C14H21N3O3/c1-5-16-9(3)7-8-10(16)11-12(18)15(4)14(20)17(6-2)13(11)19/h9H,5-8H2,1-4H3/b11-10-
InChIKeyHREVPMWOVFJKGZ-KHPPLWFESA-N
XLogP1.19
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione (CID 59955819) is (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione is CCN1C(=O)/C(=C2/CCC(C)N2CC)C(=O)N(C)C1=O.
What is the InChIKey of (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is HREVPMWOVFJKGZ-KHPPLWFESA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-16-9(3)7-8-10(16)11-12(18)15(4)14(20)17(6-2)13(11)19/h9H,5-8H2,1-4H3/b11-10-.
What are the key properties of (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione?
(5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 279.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-ethyl-5-(1-ethyl-5-methylpyrrolidin-2-ylidene)-3-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 59955819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).