(4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine

C11H10N2 — CID 139482581

IUPAC(4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine
SMILESNc1cc2/c(cn1)=C\C=C/C=C\C=2
InChIInChI=1S/C11H10N2/c12-11-7-9-5-3-1-2-4-6-10(9)8-13-11/h1-8H,(H2,12,13)/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-
InChIKeyMNEUAXKFQRURHZ-CKSLBRPTSA-N
MW170.21 g/mol
LogP0.35
Rot. Bonds

About (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine

(4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine (PubChem CID 139482581) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine.

Molecular Properties

Compound Name(4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine
PubChem CID139482581
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name(4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine
SMILESNc1cc2/c(cn1)=C\C=C/C=C\C=2
InChIInChI=1S/C11H10N2/c12-11-7-9-5-3-1-2-4-6-10(9)8-13-11/h1-8H,(H2,12,13)/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-
InChIKeyMNEUAXKFQRURHZ-CKSLBRPTSA-N
XLogP0.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine?
The IUPAC name of (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine (CID 139482581) is (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine.
What is the SMILES notation for (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine?
The canonical SMILES for (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine is Nc1cc2/c(cn1)=C\C=C/C=C\C=2.
What is the InChIKey of (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine?
The InChIKey is MNEUAXKFQRURHZ-CKSLBRPTSA-N. The full InChI is InChI=1S/C11H10N2/c12-11-7-9-5-3-1-2-4-6-10(9)8-13-11/h1-8H,(H2,12,13)/b2-1-,3-1-,4-2-,5-3-,6-4-,9-5-,10-6-.
What are the key properties of (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine?
(4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine has a molecular weight of 170.21 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine is sourced from PubChem (CID 139482581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).