(514C)3,4-dihydro-2H-pyrrole

C4H7N — CID 90686720

IUPAC(514C)3,4-dihydro-2H-pyrrole
SMILESC1C[14CH]=NC1
InChIInChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2/i3+2
InChIKeyZVJHJDDKYZXRJI-YZRHJBSPSA-N
MW71.10 g/mol
LogP0.85
Rot. Bonds

About (514C)3,4-dihydro-2H-pyrrole

(514C)3,4-dihydro-2H-pyrrole (PubChem CID 90686720) has the molecular formula C4H7N and a molecular weight of 71.10 g/mol. Its IUPAC name is (514C)3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(514C)3,4-dihydro-2H-pyrrole
PubChem CID90686720
Molecular FormulaC4H7N
Molecular Weight71.10 g/mol
Exact Mass71.06
IUPAC Name(514C)3,4-dihydro-2H-pyrrole
SMILESC1C[14CH]=NC1
InChIInChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2/i3+2
InChIKeyZVJHJDDKYZXRJI-YZRHJBSPSA-N
XLogP0.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.10
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Pyrroline
CID 79803
N-propylidenebutylamine
CID 12510988
Dihydrochloride 3,4-dihydro-2h pyrrole
CID 129777191
(3S,4S)-3,4-difluoro-3,4-dihydro-2H-pyrrole
CID 68283174
2-fluoro-3,4-dihydro-2H-pyrrole
CID 153968630
3-fluoro-3,4-dihydro-2H-pyrrole
CID 154058639
3,4-Dihydro-2H-pyrrolehydrochloride
CID 20509730
CID 57466056
CID 57466056
Ruthenium(1+);2,3,4,5-tetrahydropyrrol-5-ide
CID 59356814
3,4-dihydro-2H-pyrrole;ethane
CID 90995957
3,4-dihydro-2H-pyrrole;hydroiodide
CID 129796568
3,4-dihydro-2H-pyrrole;hydrate
CID 141256161

Frequently Asked Questions

What is the IUPAC name of (514C)3,4-dihydro-2H-pyrrole?
The IUPAC name of (514C)3,4-dihydro-2H-pyrrole (CID 90686720) is (514C)3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (514C)3,4-dihydro-2H-pyrrole?
The canonical SMILES for (514C)3,4-dihydro-2H-pyrrole is C1C[14CH]=NC1.
What is the InChIKey of (514C)3,4-dihydro-2H-pyrrole?
The InChIKey is ZVJHJDDKYZXRJI-YZRHJBSPSA-N. The full InChI is InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2/i3+2.
What are the key properties of (514C)3,4-dihydro-2H-pyrrole?
(514C)3,4-dihydro-2H-pyrrole has a molecular weight of 71.10 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (514C)3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 90686720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).