(4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol

C9H14N2O — CID 83905525

IUPAC(4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol
SMILESCn1cc2c(c1)C(N)(CO)CC2
InChIInChI=1S/C9H14N2O/c1-11-4-7-2-3-9(10,6-12)8(7)5-11/h4-5,12H,2-3,6,10H2,1H3
InChIKeyPKTNQKQDYJUWFO-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.12
Rot. Bonds1

About (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol

(4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol (PubChem CID 83905525) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol
PubChem CID83905525
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol
SMILESCn1cc2c(c1)C(N)(CO)CC2
InChIInChI=1S/C9H14N2O/c1-11-4-7-2-3-9(10,6-12)8(7)5-11/h4-5,12H,2-3,6,10H2,1H3
InChIKeyPKTNQKQDYJUWFO-UHFFFAOYSA-N
XLogP0.12
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol?
The IUPAC name of (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol (CID 83905525) is (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol.
What is the SMILES notation for (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol?
The canonical SMILES for (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol is Cn1cc2c(c1)C(N)(CO)CC2.
What is the InChIKey of (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol?
The InChIKey is PKTNQKQDYJUWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-4-7-2-3-9(10,6-12)8(7)5-11/h4-5,12H,2-3,6,10H2,1H3.
What are the key properties of (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol?
(4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrrol-4-yl)methanol is sourced from PubChem (CID 83905525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).