1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine

C8H14N2 — CID 69247067

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
SMILESCNC(C)=CC1=NCCC1
InChIInChI=1S/C8H14N2/c1-7(9-2)6-8-4-3-5-10-8/h6,9H,3-5H2,1-2H3
InChIKeyMXNKKQHHJKKSLG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine

1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine (PubChem CID 69247067) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
PubChem CID69247067
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
SMILESCNC(C)=CC1=NCCC1
InChIInChI=1S/C8H14N2/c1-7(9-2)6-8-4-3-5-10-8/h6,9H,3-5H2,1-2H3
InChIKeyMXNKKQHHJKKSLG-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine (CID 69247067) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine is CNC(C)=CC1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The InChIKey is MXNKKQHHJKKSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(9-2)6-8-4-3-5-10-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 69247067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).