2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol

C8H13NO — CID 118407408

IUPAC2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol
SMILESCC(C)(O)C1=CC(N)C=C1
InChIInChI=1S/C8H13NO/c1-8(2,10)6-3-4-7(9)5-6/h3-5,7,10H,9H2,1-2H3
InChIKeyGDTZQTMNILISLE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds1

About 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol

2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol (PubChem CID 118407408) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol
PubChem CID118407408
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol
SMILESCC(C)(O)C1=CC(N)C=C1
InChIInChI=1S/C8H13NO/c1-8(2,10)6-3-4-7(9)5-6/h3-5,7,10H,9H2,1-2H3
InChIKeyGDTZQTMNILISLE-UHFFFAOYSA-N
XLogP0.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol?
The IUPAC name of 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol (CID 118407408) is 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol is CC(C)(O)C1=CC(N)C=C1.
What is the InChIKey of 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol?
The InChIKey is GDTZQTMNILISLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2,10)6-3-4-7(9)5-6/h3-5,7,10H,9H2,1-2H3.
What are the key properties of 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol?
2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclopenta-1,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 118407408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).