3-methylidenepyrrol-2-amine;molecular hydrogen

C5H8N2 — CID 143334027

IUPAC3-methylidenepyrrol-2-amine;molecular hydrogen
SMILESC=C1C=CN=C1N.[H][H]
InChIInChI=1S/C5H6N2.H2/c1-4-2-3-7-5(4)6;/h2-3H,1H2,(H2,6,7);1H
InChIKeyPGAGHKZNSJJXDO-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.67
Rot. Bonds

About 3-methylidenepyrrol-2-amine;molecular hydrogen

3-methylidenepyrrol-2-amine;molecular hydrogen (PubChem CID 143334027) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methylidenepyrrol-2-amine;molecular hydrogen.

Molecular Properties

Compound Name3-methylidenepyrrol-2-amine;molecular hydrogen
PubChem CID143334027
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3-methylidenepyrrol-2-amine;molecular hydrogen
SMILESC=C1C=CN=C1N.[H][H]
InChIInChI=1S/C5H6N2.H2/c1-4-2-3-7-5(4)6;/h2-3H,1H2,(H2,6,7);1H
InChIKeyPGAGHKZNSJJXDO-UHFFFAOYSA-N
XLogP0.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenepyrrol-2-amine;molecular hydrogen?
The IUPAC name of 3-methylidenepyrrol-2-amine;molecular hydrogen (CID 143334027) is 3-methylidenepyrrol-2-amine;molecular hydrogen.
What is the SMILES notation for 3-methylidenepyrrol-2-amine;molecular hydrogen?
The canonical SMILES for 3-methylidenepyrrol-2-amine;molecular hydrogen is C=C1C=CN=C1N.[H][H].
What is the InChIKey of 3-methylidenepyrrol-2-amine;molecular hydrogen?
The InChIKey is PGAGHKZNSJJXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.H2/c1-4-2-3-7-5(4)6;/h2-3H,1H2,(H2,6,7);1H.
What are the key properties of 3-methylidenepyrrol-2-amine;molecular hydrogen?
3-methylidenepyrrol-2-amine;molecular hydrogen has a molecular weight of 96.13 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepyrrol-2-amine;molecular hydrogen is sourced from PubChem (CID 143334027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).