(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol

C15H19NO — CID 14944884

IUPAC(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol
SMILESC=CCN1CC[C@H]2c3c(O)cccc3CC[C@H]21
InChIInChI=1S/C15H19NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h2-5,12-13,17H,1,6-10H2/t12-,13-/m1/s1
InChIKeyNLAWPJROLJRPAW-CHWSQXEVSA-N
MW229.32 g/mol
LogP2.68
Rot. Bonds2

About (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol

(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol (PubChem CID 14944884) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol.

Molecular Properties

Compound Name(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol
PubChem CID14944884
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol
SMILESC=CCN1CC[C@H]2c3c(O)cccc3CC[C@H]21
InChIInChI=1S/C15H19NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h2-5,12-13,17H,1,6-10H2/t12-,13-/m1/s1
InChIKeyNLAWPJROLJRPAW-CHWSQXEVSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol?
The IUPAC name of (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol (CID 14944884) is (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol.
What is the SMILES notation for (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol?
The canonical SMILES for (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol is C=CCN1CC[C@H]2c3c(O)cccc3CC[C@H]21.
What is the InChIKey of (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol?
The InChIKey is NLAWPJROLJRPAW-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h2-5,12-13,17H,1,6-10H2/t12-,13-/m1/s1.
What are the key properties of (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol?
(3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol has a molecular weight of 229.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-9-ol is sourced from PubChem (CID 14944884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).