(3S)-3-ethenyl-3,4-dihydro-2H-pyrrole

C6H9N — CID 143927759

IUPAC(3S)-3-ethenyl-3,4-dihydro-2H-pyrrole
SMILESC=C[C@@H]1CC=NC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,4,6H,1,3,5H2/t6-/m1/s1
InChIKeyRGCYMXYBLLBVIG-ZCFIWIBFSA-N
MW95.14 g/mol
LogP1.26
Rot. Bonds1

About (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole

(3S)-3-ethenyl-3,4-dihydro-2H-pyrrole (PubChem CID 143927759) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(3S)-3-ethenyl-3,4-dihydro-2H-pyrrole
PubChem CID143927759
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(3S)-3-ethenyl-3,4-dihydro-2H-pyrrole
SMILESC=C[C@@H]1CC=NC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,4,6H,1,3,5H2/t6-/m1/s1
InChIKeyRGCYMXYBLLBVIG-ZCFIWIBFSA-N
XLogP1.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
3-propan-2-yl-3H-pyrrole
CID 59104305
4-Ethenyl-2,3,4,5-tetrahydropyridine
CID 89067291
5-Ethenyl-2,3,4,5-tetrahydropyridine
CID 91441485
3-ethenyl-3,4-dihydro-2H-pyrrole
CID 91530232
N,2-dimethylpent-4-en-1-imine
CID 123377717
N-(2-methylbutyl)hex-5-en-1-imine
CID 123382083
2-Cycloprop-2-en-1-ylpropylidene(methylidene)azanium
CID 123808278
3-ethenyl-4-methyl-3,4-dihydro-2H-pyrrole
CID 123846886
4-ethenyl-3-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
CID 139296202
3-ethyl-3H-pyrrole
CID 143149371
ethane;N-(2-methylpent-4-enyl)propan-1-imine
CID 143371441

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole (CID 143927759) is (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole is C=C[C@@H]1CC=NC1.
What is the InChIKey of (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is RGCYMXYBLLBVIG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2,4,6H,1,3,5H2/t6-/m1/s1.
What are the key properties of (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole?
(3S)-3-ethenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 143927759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).