N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide

C12H18N2O2 — CID 71792684

IUPACN-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide
SMILESO=C(NCC#CCN1CCOCC1)C1CC1
InChIInChI=1S/C12H18N2O2/c15-12(11-3-4-11)13-5-1-2-6-14-7-9-16-10-8-14/h11H,3-10H2,(H,13,15)
InChIKeyPFQUTUFCFCFBBV-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.15
Rot. Bonds3

About N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide

N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide (PubChem CID 71792684) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide
PubChem CID71792684
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide
SMILESO=C(NCC#CCN1CCOCC1)C1CC1
InChIInChI=1S/C12H18N2O2/c15-12(11-3-4-11)13-5-1-2-6-14-7-9-16-10-8-14/h11H,3-10H2,(H,13,15)
InChIKeyPFQUTUFCFCFBBV-UHFFFAOYSA-N
XLogP-0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide (CID 71792684) is N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide is O=C(NCC#CCN1CCOCC1)C1CC1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide?
The InChIKey is PFQUTUFCFCFBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(11-3-4-11)13-5-1-2-6-14-7-9-16-10-8-14/h11H,3-10H2,(H,13,15).
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide?
N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide has a molecular weight of 222.29 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)cyclopropanecarboxamide is sourced from PubChem (CID 71792684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).