(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine

C7H12N2 — CID 11194331

IUPAC(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
SMILESC/C(N)=C/C1=NCCC1
InChIInChI=1S/C7H12N2/c1-6(8)5-7-3-2-4-9-7/h5H,2-4,8H2,1H3/b6-5-
InChIKeyMIEKTQNVLICORZ-WAYWQWQTSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds1

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

(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine (PubChem CID 11194331) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
PubChem CID11194331
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine
SMILESC/C(N)=C/C1=NCCC1
InChIInChI=1S/C7H12N2/c1-6(8)5-7-3-2-4-9-7/h5H,2-4,8H2,1H3/b6-5-
InChIKeyMIEKTQNVLICORZ-WAYWQWQTSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine (CID 11194331) is (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine is C/C(N)=C/C1=NCCC1.
What is the InChIKey of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
The InChIKey is MIEKTQNVLICORZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(8)5-7-3-2-4-9-7/h5H,2-4,8H2,1H3/b6-5-.
What are the key properties of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine?
(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-amine is sourced from PubChem (CID 11194331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).