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

C6H13N — CID 90995957

IUPAC3,4-dihydro-2H-pyrrole;ethane
SMILESC1=NCCC1.CC
InChIInChI=1S/C4H7N.C2H6/c1-2-4-5-3-1;1-2/h3H,1-2,4H2;1-2H3
InChIKeyPIOCIODQTZWRCK-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.88
Rot. Bonds

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

3,4-dihydro-2H-pyrrole;ethane (PubChem CID 90995957) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrrole;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrrole;ethane
PubChem CID90995957
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name3,4-dihydro-2H-pyrrole;ethane
SMILESC1=NCCC1.CC
InChIInChI=1S/C4H7N.C2H6/c1-2-4-5-3-1;1-2/h3H,1-2,4H2;1-2H3
InChIKeyPIOCIODQTZWRCK-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Pyrroline
CID 79803
N-Butylidenebutylamine
CID 94840
3,4-Dihydro-1-methyl-2H-pyrrolium
CID 440932
Ethanamine, N-butylidene-
CID 137111
4-Aza-3-heptene
CID 139063
1-Butanamine, N-ethylidene-
CID 544735
Propylamine, N-ethylidene-
CID 89354
N-Propylideneethanamine
CID 140370
Ethanamine, N-pentylidene-
CID 544805
1-Butanamine, N-pentylidene-
CID 545363
n-Butyraldehyd-n-propylimin
CID 10866301
(1E)-N-Methylpropan-1-imine
CID 12355454

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrrole;ethane?
The IUPAC name of 3,4-dihydro-2H-pyrrole;ethane (CID 90995957) is 3,4-dihydro-2H-pyrrole;ethane.
What is the SMILES notation for 3,4-dihydro-2H-pyrrole;ethane?
The canonical SMILES for 3,4-dihydro-2H-pyrrole;ethane is C1=NCCC1.CC.
What is the InChIKey of 3,4-dihydro-2H-pyrrole;ethane?
The InChIKey is PIOCIODQTZWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C2H6/c1-2-4-5-3-1;1-2/h3H,1-2,4H2;1-2H3.
What are the key properties of 3,4-dihydro-2H-pyrrole;ethane?
3,4-dihydro-2H-pyrrole;ethane has a molecular weight of 99.18 g/mol, XLogP of 1.88, 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 is sourced from PubChem (CID 90995957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).