1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one

C13H19NO — CID 163241797

IUPAC1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
SMILESC=CC1=C(/C=C\C)CC(C(=O)C(C)C)N1
InChIInChI=1S/C13H19NO/c1-5-7-10-8-12(13(15)9(3)4)14-11(10)6-2/h5-7,9,12,14H,2,8H2,1,3-4H3/b7-5-
InChIKeyNHEWXMRAYRRZFS-ALCCZGGFSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds4

About 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one

1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one (PubChem CID 163241797) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
PubChem CID163241797
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
SMILESC=CC1=C(/C=C\C)CC(C(=O)C(C)C)N1
InChIInChI=1S/C13H19NO/c1-5-7-10-8-12(13(15)9(3)4)14-11(10)6-2/h5-7,9,12,14H,2,8H2,1,3-4H3/b7-5-
InChIKeyNHEWXMRAYRRZFS-ALCCZGGFSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one (CID 163241797) is 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one is C=CC1=C(/C=C\C)CC(C(=O)C(C)C)N1.
What is the InChIKey of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
The InChIKey is NHEWXMRAYRRZFS-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-7-10-8-12(13(15)9(3)4)14-11(10)6-2/h5-7,9,12,14H,2,8H2,1,3-4H3/b7-5-.
What are the key properties of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one?
1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 163241797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).