(8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine

C14H18ClN3 — CID 143720913

IUPAC(8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine
SMILESC/C=C1\CCc2c(Cl)cc3nn(C)cc3c21.CN
InChIInChI=1S/C13H13ClN2.CH5N/c1-3-8-4-5-9-11(14)6-12-10(13(8)9)7-16(2)15-12;1-2/h3,6-7H,4-5H2,1-2H3;2H2,1H3/b8-3+;
InChIKeyUUDYMBHNVUUGPQ-DCDCITSCSA-N
MW263.77 g/mol
LogP3.15
Rot. Bonds

About (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine

(8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine (PubChem CID 143720913) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine.

Molecular Properties

Compound Name(8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine
PubChem CID143720913
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine
SMILESC/C=C1\CCc2c(Cl)cc3nn(C)cc3c21.CN
InChIInChI=1S/C13H13ClN2.CH5N/c1-3-8-4-5-9-11(14)6-12-10(13(8)9)7-16(2)15-12;1-2/h3,6-7H,4-5H2,1-2H3;2H2,1H3/b8-3+;
InChIKeyUUDYMBHNVUUGPQ-DCDCITSCSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine?
The IUPAC name of (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine (CID 143720913) is (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine.
What is the SMILES notation for (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine?
The canonical SMILES for (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine is C/C=C1\CCc2c(Cl)cc3nn(C)cc3c21.CN.
What is the InChIKey of (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine?
The InChIKey is UUDYMBHNVUUGPQ-DCDCITSCSA-N. The full InChI is InChI=1S/C13H13ClN2.CH5N/c1-3-8-4-5-9-11(14)6-12-10(13(8)9)7-16(2)15-12;1-2/h3,6-7H,4-5H2,1-2H3;2H2,1H3/b8-3+;.
What are the key properties of (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine?
(8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine has a molecular weight of 263.77 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine is sourced from PubChem (CID 143720913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).