1-(1H-pyrrol-3-yl)propan-2-amine

C7H12N2 — CID 13437356

IUPAC1-(1H-pyrrol-3-yl)propan-2-amine
SMILESCC(N)Cc1cc[nH]c1
InChIInChI=1S/C7H12N2/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,9H,4,8H2,1H3
InChIKeyXMTHAWZPEGHZPK-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds2

About 1-(1H-pyrrol-3-yl)propan-2-amine

1-(1H-pyrrol-3-yl)propan-2-amine (PubChem CID 13437356) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)propan-2-amine
PubChem CID13437356
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(1H-pyrrol-3-yl)propan-2-amine
SMILESCC(N)Cc1cc[nH]c1
InChIInChI=1S/C7H12N2/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,9H,4,8H2,1H3
InChIKeyXMTHAWZPEGHZPK-UHFFFAOYSA-N
XLogP0.90
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)propan-2-amine?
The IUPAC name of 1-(1H-pyrrol-3-yl)propan-2-amine (CID 13437356) is 1-(1H-pyrrol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1H-pyrrol-3-yl)propan-2-amine is CC(N)Cc1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)propan-2-amine?
The InChIKey is XMTHAWZPEGHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,9H,4,8H2,1H3.
What are the key properties of 1-(1H-pyrrol-3-yl)propan-2-amine?
1-(1H-pyrrol-3-yl)propan-2-amine has a molecular weight of 124.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)propan-2-amine is sourced from PubChem (CID 13437356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).