2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene

C13H13N — CID 165066702

IUPAC2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene
SMILESC=C1C=Cc2cccc3c2N1CCC3
InChIInChI=1S/C13H13N/c1-10-7-8-12-5-2-4-11-6-3-9-14(10)13(11)12/h2,4-5,7-8H,1,3,6,9H2
InChIKeyIZDHOPLKZATRMK-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.98
Rot. Bonds

About 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene

2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene (PubChem CID 165066702) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene.

Molecular Properties

Compound Name2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene
PubChem CID165066702
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene
SMILESC=C1C=Cc2cccc3c2N1CCC3
InChIInChI=1S/C13H13N/c1-10-7-8-12-5-2-4-11-6-3-9-14(10)13(11)12/h2,4-5,7-8H,1,3,6,9H2
InChIKeyIZDHOPLKZATRMK-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 145199366
CID 163775092
CID 163775092
10,16-diaza-1-boraheptacyclo[13.9.1.12,6.116,20.011,25.010,27.024,26]heptacosa-2(27),3,5,11(25),12,14,20,22,24(26)-nonaene
CID 163607388
6'-iminospiro[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-4,3'-cyclohexa-1,4-diene]-2-one
CID 102139843
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene;1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,10-pentaene
CID 70611238
3,3-dichloro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione
CID 2785059
2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
CID 14090452
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
(3R)-3-ethyl-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 134968441
3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
CID 118423664
9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene
CID 69216825
8-bromo-1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline
CID 84738520

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene?
The IUPAC name of 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene (CID 165066702) is 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene.
What is the SMILES notation for 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene?
The canonical SMILES for 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene is C=C1C=Cc2cccc3c2N1CCC3.
What is the InChIKey of 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene?
The InChIKey is IZDHOPLKZATRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-10-7-8-12-5-2-4-11-6-3-9-14(10)13(11)12/h2,4-5,7-8H,1,3,6,9H2.
What are the key properties of 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene?
2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene has a molecular weight of 183.25 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene is sourced from PubChem (CID 165066702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).