2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide

C10H15N5O — CID 173474599

IUPAC2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(C#N)=CNC(=C)N1CCOCC1
InChIInChI=1S/C10H15N5O/c1-8(15-2-4-16-5-3-15)14-7-9(6-11)10(12)13/h7,14H,1-5H2,(H3,12,13)
InChIKeyALGCEFZNPFJCSY-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.28
Rot. Bonds4

About 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide

2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide (PubChem CID 173474599) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide.

Molecular Properties

Compound Name2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide
PubChem CID173474599
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide
SMILES[H]/N=C(\N)C(C#N)=CNC(=C)N1CCOCC1
InChIInChI=1S/C10H15N5O/c1-8(15-2-4-16-5-3-15)14-7-9(6-11)10(12)13/h7,14H,1-5H2,(H3,12,13)
InChIKeyALGCEFZNPFJCSY-UHFFFAOYSA-N
XLogP-0.28
TPSA98.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide?
The IUPAC name of 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide (CID 173474599) is 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide.
What is the SMILES notation for 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide?
The canonical SMILES for 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide is [H]/N=C(\N)C(C#N)=CNC(=C)N1CCOCC1.
What is the InChIKey of 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide?
The InChIKey is ALGCEFZNPFJCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(15-2-4-16-5-3-15)14-7-9(6-11)10(12)13/h7,14H,1-5H2,(H3,12,13).
What are the key properties of 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide?
2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide has a molecular weight of 221.26 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(1-morpholin-4-ylethenylamino)prop-2-enimidamide is sourced from PubChem (CID 173474599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).