N-prop-2-ynylmorpholine-4-carboxamide

C8H12N2O2 — CID 45088989

IUPACN-prop-2-ynylmorpholine-4-carboxamide
SMILESC#CCNC(=O)N1CCOCC1
InChIInChI=1S/C8H12N2O2/c1-2-3-9-8(11)10-4-6-12-7-5-10/h1H,3-7H2,(H,9,11)
InChIKeyCJIKWUXDVNYLJN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.34
Rot. Bonds1

About N-prop-2-ynylmorpholine-4-carboxamide

N-prop-2-ynylmorpholine-4-carboxamide (PubChem CID 45088989) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-prop-2-ynylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynylmorpholine-4-carboxamide
PubChem CID45088989
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-prop-2-ynylmorpholine-4-carboxamide
SMILESC#CCNC(=O)N1CCOCC1
InChIInChI=1S/C8H12N2O2/c1-2-3-9-8(11)10-4-6-12-7-5-10/h1H,3-7H2,(H,9,11)
InChIKeyCJIKWUXDVNYLJN-UHFFFAOYSA-N
XLogP-0.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-ynylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylmorpholine-4-carboxamide?
The IUPAC name of N-prop-2-ynylmorpholine-4-carboxamide (CID 45088989) is N-prop-2-ynylmorpholine-4-carboxamide.
What is the SMILES notation for N-prop-2-ynylmorpholine-4-carboxamide?
The canonical SMILES for N-prop-2-ynylmorpholine-4-carboxamide is C#CCNC(=O)N1CCOCC1.
What is the InChIKey of N-prop-2-ynylmorpholine-4-carboxamide?
The InChIKey is CJIKWUXDVNYLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-9-8(11)10-4-6-12-7-5-10/h1H,3-7H2,(H,9,11).
What are the key properties of N-prop-2-ynylmorpholine-4-carboxamide?
N-prop-2-ynylmorpholine-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylmorpholine-4-carboxamide is sourced from PubChem (CID 45088989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).