2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C14H19NO — CID 84785545

IUPAC2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESNC1(c2cc3c(cc2O)CCCCC3)CC1
InChIInChI=1S/C14H19NO/c15-14(6-7-14)12-8-10-4-2-1-3-5-11(10)9-13(12)16/h8-9,16H,1-7,15H2
InChIKeyHJUGTNXGQNFDBZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.61
Rot. Bonds1

About 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 84785545) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID84785545
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESNC1(c2cc3c(cc2O)CCCCC3)CC1
InChIInChI=1S/C14H19NO/c15-14(6-7-14)12-8-10-4-2-1-3-5-11(10)9-13(12)16/h8-9,16H,1-7,15H2
InChIKeyHJUGTNXGQNFDBZ-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 84785545) is 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is NC1(c2cc3c(cc2O)CCCCC3)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is HJUGTNXGQNFDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14(6-7-14)12-8-10-4-2-1-3-5-11(10)9-13(12)16/h8-9,16H,1-7,15H2.
What are the key properties of 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 217.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 84785545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).