(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine

C6H10N2 — CID 144723500

IUPAC(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine
SMILES[H]/N=C1/C[C@@H](C)C(C)=N1
InChIInChI=1S/C6H10N2/c1-4-3-6(7)8-5(4)2/h4,7H,3H2,1-2H3/b7-6-/t4-/m1/s1
InChIKeyRYUTYRCHJMPDJE-CBBYYFRTSA-N
MW110.16 g/mol
LogP1.46
Rot. Bonds

About (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine

(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine (PubChem CID 144723500) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine.

Molecular Properties

Compound Name(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine
PubChem CID144723500
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine
SMILES[H]/N=C1/C[C@@H](C)C(C)=N1
InChIInChI=1S/C6H10N2/c1-4-3-6(7)8-5(4)2/h4,7H,3H2,1-2H3/b7-6-/t4-/m1/s1
InChIKeyRYUTYRCHJMPDJE-CBBYYFRTSA-N
XLogP1.46
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine?
The IUPAC name of (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine (CID 144723500) is (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine.
What is the SMILES notation for (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine?
The canonical SMILES for (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine is [H]/N=C1/C[C@@H](C)C(C)=N1.
What is the InChIKey of (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine?
The InChIKey is RYUTYRCHJMPDJE-CBBYYFRTSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-3-6(7)8-5(4)2/h4,7H,3H2,1-2H3/b7-6-/t4-/m1/s1.
What are the key properties of (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine?
(4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine has a molecular weight of 110.16 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,5-dimethyl-3,4-dihydropyrrol-2-imine is sourced from PubChem (CID 144723500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).