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

C8H14N2 — CID 69247064

IUPAC(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C\C1=NCCC1)CN
InChIInChI=1S/C8H14N2/c1-7(6-9)5-8-3-2-4-10-8/h5H,2-4,6,9H2,1H3/b7-5+
InChIKeyVSGVCISJEXHJCW-FNORWQNLSA-N
MW138.21 g/mol
LogP1.13
Rot. Bonds2

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

(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine (PubChem CID 69247064) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine
PubChem CID69247064
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C\C1=NCCC1)CN
InChIInChI=1S/C8H14N2/c1-7(6-9)5-8-3-2-4-10-8/h5H,2-4,6,9H2,1H3/b7-5+
InChIKeyVSGVCISJEXHJCW-FNORWQNLSA-N
XLogP1.13
TPSA38.38 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine (CID 69247064) is (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine is C/C(=C\C1=NCCC1)CN.
What is the InChIKey of (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine?
The InChIKey is VSGVCISJEXHJCW-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(6-9)5-8-3-2-4-10-8/h5H,2-4,6,9H2,1H3/b7-5+.
What are the key properties of (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine?
(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 69247064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).