2-amino-1-(propan-2-ylamino)pyrrol-3-ol

C7H13N3O — CID 45116628

IUPAC2-amino-1-(propan-2-ylamino)pyrrol-3-ol
SMILESCC(C)Nn1ccc(O)c1N
InChIInChI=1S/C7H13N3O/c1-5(2)9-10-4-3-6(11)7(10)8/h3-5,9,11H,8H2,1-2H3
InChIKeyVUEUCWNYDAFAOT-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.73
Rot. Bonds2

About 2-amino-1-(propan-2-ylamino)pyrrol-3-ol

2-amino-1-(propan-2-ylamino)pyrrol-3-ol (PubChem CID 45116628) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-1-(propan-2-ylamino)pyrrol-3-ol.

Molecular Properties

Compound Name2-amino-1-(propan-2-ylamino)pyrrol-3-ol
PubChem CID45116628
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-1-(propan-2-ylamino)pyrrol-3-ol
SMILESCC(C)Nn1ccc(O)c1N
InChIInChI=1S/C7H13N3O/c1-5(2)9-10-4-3-6(11)7(10)8/h3-5,9,11H,8H2,1-2H3
InChIKeyVUEUCWNYDAFAOT-UHFFFAOYSA-N
XLogP0.73
TPSA63.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(propan-2-ylamino)pyrrol-3-ol?
The IUPAC name of 2-amino-1-(propan-2-ylamino)pyrrol-3-ol (CID 45116628) is 2-amino-1-(propan-2-ylamino)pyrrol-3-ol.
What is the SMILES notation for 2-amino-1-(propan-2-ylamino)pyrrol-3-ol?
The canonical SMILES for 2-amino-1-(propan-2-ylamino)pyrrol-3-ol is CC(C)Nn1ccc(O)c1N.
What is the InChIKey of 2-amino-1-(propan-2-ylamino)pyrrol-3-ol?
The InChIKey is VUEUCWNYDAFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)9-10-4-3-6(11)7(10)8/h3-5,9,11H,8H2,1-2H3.
What are the key properties of 2-amino-1-(propan-2-ylamino)pyrrol-3-ol?
2-amino-1-(propan-2-ylamino)pyrrol-3-ol has a molecular weight of 155.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(propan-2-ylamino)pyrrol-3-ol is sourced from PubChem (CID 45116628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).