(1-pyrrol-1-ylcyclopropyl)methanamine

C8H12N2 — CID 121207461

IUPAC(1-pyrrol-1-ylcyclopropyl)methanamine
SMILESNCC1(n2cccc2)CC1
InChIInChI=1S/C8H12N2/c9-7-8(3-4-8)10-5-1-2-6-10/h1-2,5-6H,3-4,7,9H2
InChIKeyLUFCLRRCLUKUJF-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.94
Rot. Bonds2

About (1-pyrrol-1-ylcyclopropyl)methanamine

(1-pyrrol-1-ylcyclopropyl)methanamine (PubChem CID 121207461) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1-pyrrol-1-ylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-pyrrol-1-ylcyclopropyl)methanamine
PubChem CID121207461
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1-pyrrol-1-ylcyclopropyl)methanamine
SMILESNCC1(n2cccc2)CC1
InChIInChI=1S/C8H12N2/c9-7-8(3-4-8)10-5-1-2-6-10/h1-2,5-6H,3-4,7,9H2
InChIKeyLUFCLRRCLUKUJF-UHFFFAOYSA-N
XLogP0.94
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-pyrrol-1-ylcyclopropyl)methanamine?
The IUPAC name of (1-pyrrol-1-ylcyclopropyl)methanamine (CID 121207461) is (1-pyrrol-1-ylcyclopropyl)methanamine.
What is the SMILES notation for (1-pyrrol-1-ylcyclopropyl)methanamine?
The canonical SMILES for (1-pyrrol-1-ylcyclopropyl)methanamine is NCC1(n2cccc2)CC1.
What is the InChIKey of (1-pyrrol-1-ylcyclopropyl)methanamine?
The InChIKey is LUFCLRRCLUKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-7-8(3-4-8)10-5-1-2-6-10/h1-2,5-6H,3-4,7,9H2.
What are the key properties of (1-pyrrol-1-ylcyclopropyl)methanamine?
(1-pyrrol-1-ylcyclopropyl)methanamine has a molecular weight of 136.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrrol-1-ylcyclopropyl)methanamine is sourced from PubChem (CID 121207461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).