N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide

C14H23N3O2 — CID 130327937

IUPACN,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide
SMILESCCNC(=O)C(=C/C=C1\CCCN1C)C(=O)NCC
InChIInChI=1S/C14H23N3O2/c1-4-15-13(18)12(14(19)16-5-2)9-8-11-7-6-10-17(11)3/h8-9H,4-7,10H2,1-3H3,(H,15,18)(H,16,19)/b11-8+
InChIKeyRVRPOLOPIMJRSH-DHZHZOJOSA-N
MW265.36 g/mol
LogP0.79
Rot. Bonds5

About N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide

N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide (PubChem CID 130327937) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide.

Molecular Properties

Compound NameN,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide
PubChem CID130327937
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide
SMILESCCNC(=O)C(=C/C=C1\CCCN1C)C(=O)NCC
InChIInChI=1S/C14H23N3O2/c1-4-15-13(18)12(14(19)16-5-2)9-8-11-7-6-10-17(11)3/h8-9H,4-7,10H2,1-3H3,(H,15,18)(H,16,19)/b11-8+
InChIKeyRVRPOLOPIMJRSH-DHZHZOJOSA-N
XLogP0.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide?
The IUPAC name of N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide (CID 130327937) is N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide.
What is the SMILES notation for N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide?
The canonical SMILES for N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide is CCNC(=O)C(=C/C=C1\CCCN1C)C(=O)NCC.
What is the InChIKey of N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide?
The InChIKey is RVRPOLOPIMJRSH-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-15-13(18)12(14(19)16-5-2)9-8-11-7-6-10-17(11)3/h8-9H,4-7,10H2,1-3H3,(H,15,18)(H,16,19)/b11-8+.
What are the key properties of N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide?
N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide has a molecular weight of 265.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide is sourced from PubChem (CID 130327937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).