1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole

C9H15N2OP — CID 89141061

IUPAC1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole
SMILESCC1C(P(C)(C)=O)[C@H]1n1ccnc1
InChIInChI=1S/C9H15N2OP/c1-7-8(9(7)13(2,3)12)11-5-4-10-6-11/h4-9H,1-3H3/t7?,8-,9?/m0/s1
InChIKeyOZUIPKTVBIMMBR-MGURRDGZSA-N
MW198.21 g/mol
LogP2.07
Rot. Bonds2

About 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole

1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole (PubChem CID 89141061) has the molecular formula C9H15N2OP and a molecular weight of 198.21 g/mol. Its IUPAC name is 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole.

Molecular Properties

Compound Name1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole
PubChem CID89141061
Molecular FormulaC9H15N2OP
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole
SMILESCC1C(P(C)(C)=O)[C@H]1n1ccnc1
InChIInChI=1S/C9H15N2OP/c1-7-8(9(7)13(2,3)12)11-5-4-10-6-11/h4-9H,1-3H3/t7?,8-,9?/m0/s1
InChIKeyOZUIPKTVBIMMBR-MGURRDGZSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole?
The IUPAC name of 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole (CID 89141061) is 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole.
What is the SMILES notation for 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole?
The canonical SMILES for 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole is CC1C(P(C)(C)=O)[C@H]1n1ccnc1.
What is the InChIKey of 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole?
The InChIKey is OZUIPKTVBIMMBR-MGURRDGZSA-N. The full InChI is InChI=1S/C9H15N2OP/c1-7-8(9(7)13(2,3)12)11-5-4-10-6-11/h4-9H,1-3H3/t7?,8-,9?/m0/s1.
What are the key properties of 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole?
1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole has a molecular weight of 198.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-dimethylphosphoryl-3-methylcyclopropyl]imidazole is sourced from PubChem (CID 89141061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).