(2-methyl-1-morpholin-4-ylpropylidene)cyanamide

C9H15N3O — CID 20600808

IUPAC(2-methyl-1-morpholin-4-ylpropylidene)cyanamide
SMILESCC(C)/C(=N\C#N)N1CCOCC1
InChIInChI=1S/C9H15N3O/c1-8(2)9(11-7-10)12-3-5-13-6-4-12/h8H,3-6H2,1-2H3/b11-9+
InChIKeyHFVYYLKLRIICSH-PKNBQFBNSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds1

About (2-methyl-1-morpholin-4-ylpropylidene)cyanamide

(2-methyl-1-morpholin-4-ylpropylidene)cyanamide (PubChem CID 20600808) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2-methyl-1-morpholin-4-ylpropylidene)cyanamide.

Molecular Properties

Compound Name(2-methyl-1-morpholin-4-ylpropylidene)cyanamide
PubChem CID20600808
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2-methyl-1-morpholin-4-ylpropylidene)cyanamide
SMILESCC(C)/C(=N\C#N)N1CCOCC1
InChIInChI=1S/C9H15N3O/c1-8(2)9(11-7-10)12-3-5-13-6-4-12/h8H,3-6H2,1-2H3/b11-9+
InChIKeyHFVYYLKLRIICSH-PKNBQFBNSA-N
XLogP0.85
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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-methyl-1-morpholin-4-ylpropylidene)cyanamide?
The IUPAC name of (2-methyl-1-morpholin-4-ylpropylidene)cyanamide (CID 20600808) is (2-methyl-1-morpholin-4-ylpropylidene)cyanamide.
What is the SMILES notation for (2-methyl-1-morpholin-4-ylpropylidene)cyanamide?
The canonical SMILES for (2-methyl-1-morpholin-4-ylpropylidene)cyanamide is CC(C)/C(=N\C#N)N1CCOCC1.
What is the InChIKey of (2-methyl-1-morpholin-4-ylpropylidene)cyanamide?
The InChIKey is HFVYYLKLRIICSH-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(2)9(11-7-10)12-3-5-13-6-4-12/h8H,3-6H2,1-2H3/b11-9+.
What are the key properties of (2-methyl-1-morpholin-4-ylpropylidene)cyanamide?
(2-methyl-1-morpholin-4-ylpropylidene)cyanamide has a molecular weight of 181.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-morpholin-4-ylpropylidene)cyanamide is sourced from PubChem (CID 20600808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).