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

C8H17N — CID 91427397

IUPAC4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane
SMILESCC.CC1=C(C)NCC1
InChIInChI=1S/C6H11N.C2H6/c1-5-3-4-7-6(5)2;1-2/h7H,3-4H2,1-2H3;1-2H3
InChIKeySYCNKXNPTDCEQW-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.30
Rot. Bonds

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

4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane (PubChem CID 91427397) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane
PubChem CID91427397
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane
SMILESCC.CC1=C(C)NCC1
InChIInChI=1S/C6H11N.C2H6/c1-5-3-4-7-6(5)2;1-2/h7H,3-4H2,1-2H3;1-2H3
InChIKeySYCNKXNPTDCEQW-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane (CID 91427397) is 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane is CC.CC1=C(C)NCC1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane?
The InChIKey is SYCNKXNPTDCEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-5-3-4-7-6(5)2;1-2/h7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane?
4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane has a molecular weight of 127.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane is sourced from PubChem (CID 91427397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).