3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane

C7H16NP — CID 144939825

IUPAC3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane
SMILESCC1=C(C)CNC1.CP
InChIInChI=1S/C6H11N.CH5P/c1-5-3-7-4-6(5)2;1-2/h7H,3-4H2,1-2H3;2H2,1H3
InChIKeyVVKBPAPULICHJZ-UHFFFAOYSA-N
MW145.19 g/mol
LogP1.42
Rot. Bonds

About 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane

3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane (PubChem CID 144939825) has the molecular formula C7H16NP and a molecular weight of 145.19 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane
PubChem CID144939825
Molecular FormulaC7H16NP
Molecular Weight145.19 g/mol
Exact Mass145.10
IUPAC Name3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane
SMILESCC1=C(C)CNC1.CP
InChIInChI=1S/C6H11N.CH5P/c1-5-3-7-4-6(5)2;1-2/h7H,3-4H2,1-2H3;2H2,1H3
InChIKeyVVKBPAPULICHJZ-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-(methylideneamino)-2,5-dihydro-1H-pyrrol-3-amine
CID 175635372
4-bromo-5-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
CID 146155049
4-ethyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 23423763
6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine
CID 90942786
3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
CID 55287523
1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole;hydrobromide
CID 146013756
(E)-N-methyl-3-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)pent-2-en-2-amine
CID 167297837
ethane;5-methyl-4-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 142600010
1-(4-methylphenyl)piperazine-2,6-dione
CID 82112672
6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole
CID 142981281
2-chloro-4,5-dimethyl-1,2,3,6-tetrahydropyridine
CID 123543135
N-(1-methoxybut-2-en-2-yl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
CID 70311970

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane?
The IUPAC name of 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane (CID 144939825) is 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane.
What is the SMILES notation for 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane?
The canonical SMILES for 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane is CC1=C(C)CNC1.CP.
What is the InChIKey of 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane?
The InChIKey is VVKBPAPULICHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.CH5P/c1-5-3-7-4-6(5)2;1-2/h7H,3-4H2,1-2H3;2H2,1H3.
What are the key properties of 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane?
3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane has a molecular weight of 145.19 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane is sourced from PubChem (CID 144939825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).