3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine

C12H14N2 — CID 57108702

IUPAC3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine
SMILES[H]/N=C1\CC=CC2NC3C=CC=CC3C12
InChIInChI=1S/C12H14N2/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-4,6-8,10-14H,5H2/b13-9+
InChIKeyUSZMUMNWWHPRIN-UKTHLTGXSA-N
MW186.26 g/mol
LogP1.66
Rot. Bonds

About 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine

3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine (PubChem CID 57108702) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine.

Molecular Properties

Compound Name3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine
PubChem CID57108702
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine
SMILES[H]/N=C1\CC=CC2NC3C=CC=CC3C12
InChIInChI=1S/C12H14N2/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-4,6-8,10-14H,5H2/b13-9+
InChIKeyUSZMUMNWWHPRIN-UKTHLTGXSA-N
XLogP1.66
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 20247922
3,3a,4,4a,8a,8b-Hexahydrocyclopenta[b]indole
CID 22490754
8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 90852966
5,5a,8,9,9a,9b-hexahydro-4aH-pyrido[4,3-b]indole
CID 18788968
1,2,2a,3,5a,6,8a,9-Octahydrobenzo[cd]indole
CID 19069129
4,4a,4b,8a,9,9a-hexahydro-3H-carbazole
CID 19069148
4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
CID 19434437
4b,8a,9,9a-tetrahydro-4aH-carbazol-4-amine
CID 19983261
4,4a,4b,8a,9,9a-hexahydro-1H-pyrido[3,4-b]indole
CID 20431557
2,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 21510404
5,5a,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 22340385
4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 54388499

Frequently Asked Questions

What is the IUPAC name of 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine?
The IUPAC name of 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine (CID 57108702) is 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine.
What is the SMILES notation for 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine?
The canonical SMILES for 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine is [H]/N=C1\CC=CC2NC3C=CC=CC3C12.
What is the InChIKey of 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine?
The InChIKey is USZMUMNWWHPRIN-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-4,6-8,10-14H,5H2/b13-9+.
What are the key properties of 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine?
3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine has a molecular weight of 186.26 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,4b,8a,9,9a-hexahydrocarbazol-4-imine is sourced from PubChem (CID 57108702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).