N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

C11H21N3O — CID 71225911

IUPACN,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.CC(=O)N(C)C
InChIInChI=1S/C7H12N2.C4H9NO/c1-3-7-8-4-2-6-9(7)5-1;1-4(6)5(2)3/h1-6H2;1-3H3
InChIKeyHBDBICHWCUVSIR-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds

About N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 71225911) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound NameN,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID71225911
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.CC(=O)N(C)C
InChIInChI=1S/C7H12N2.C4H9NO/c1-3-7-8-4-2-6-9(7)5-1;1-4(6)5(2)3/h1-6H2;1-3H3
InChIKeyHBDBICHWCUVSIR-UHFFFAOYSA-N
XLogP0.98
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (CID 71225911) is N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is C1CN=C2CCCN2C1.CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is HBDBICHWCUVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C4H9NO/c1-3-7-8-4-2-6-9(7)5-1;1-4(6)5(2)3/h1-6H2;1-3H3.
What are the key properties of N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 211.31 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 71225911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).