3,4-dihydro-2H-pyrrole;ethane;propane

C11H27N — CID 143814919

IUPAC3,4-dihydro-2H-pyrrole;ethane;propane
SMILESC1=NCCC1.CC.CC.CCC
InChIInChI=1S/C4H7N.C3H8.2C2H6/c1-2-4-5-3-1;1-3-2;2*1-2/h3H,1-2,4H2;3H2,1-2H3;2*1-2H3
InChIKeyZNNATAUZHZOTKV-UHFFFAOYSA-N
MW173.34 g/mol
LogP4.32
Rot. Bonds

About 3,4-dihydro-2H-pyrrole;ethane;propane

3,4-dihydro-2H-pyrrole;ethane;propane (PubChem CID 143814919) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;ethane;propane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;ethane;propane
PubChem CID143814919
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Name3,4-dihydro-2H-pyrrole;ethane;propane
SMILESC1=NCCC1.CC.CC.CCC
InChIInChI=1S/C4H7N.C3H8.2C2H6/c1-2-4-5-3-1;1-3-2;2*1-2/h3H,1-2,4H2;3H2,1-2H3;2*1-2H3
InChIKeyZNNATAUZHZOTKV-UHFFFAOYSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
CID 140990774
cycloheptane;bis(cyclohexane);cyclohexene;tris(cyclopentane);3,4-dihydro-2H-pyrrole;ethane;2,3,4,5-tetrahydropyridine
CID 158937421
2,3,4,5,6,7,8,9-octahydroazecine
CID 57054376
1-azacycloheptadec-17-ene
CID 91001176
3,4-dihydro-2H-pyrrole;phenylmethanamine;hydrochloride
CID 159811950
bis(cyclohexane);ethane;propane
CID 91197261
bis(cyclohexane);ethane;propane
CID 160925836
cyclobutane;ethane;propane
CID 142065255
cycloheptane;ethane;propane
CID 142095328
tris(cyclohexane);ethane;propane
CID 161084167
(5S)-5-methyl-2,3,4,5,6,7-hexahydroazocine
CID 178126043
1-azacyclododecen-6-one
CID 155759286

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;ethane;propane?
The IUPAC name of 3,4-dihydro-2H-pyrrole;ethane;propane (CID 143814919) is 3,4-dihydro-2H-pyrrole;ethane;propane.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;ethane;propane?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;ethane;propane is C1=NCCC1.CC.CC.CCC.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;ethane;propane?
The InChIKey is ZNNATAUZHZOTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C3H8.2C2H6/c1-2-4-5-3-1;1-3-2;2*1-2/h3H,1-2,4H2;3H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-dihydro-2H-pyrrole;ethane;propane?
3,4-dihydro-2H-pyrrole;ethane;propane has a molecular weight of 173.34 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrrole;ethane;propane is sourced from PubChem (CID 143814919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).