ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol

C17H29NO — CID 142544077

IUPACethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol
SMILESC/C=C1/C=CC(C(O)C2CCCC(C)CN2)=C1.CC
InChIInChI=1S/C15H23NO.C2H6/c1-3-12-7-8-13(9-12)15(17)14-6-4-5-11(2)10-16-14;1-2/h3,7-9,11,14-17H,4-6,10H2,1-2H3;1-2H3/b12-3-;
InChIKeyPXIBWRDKNZUELM-RZDFXPFOSA-N
MW263.43 g/mol
LogP3.59
Rot. Bonds2

About ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol

ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol (PubChem CID 142544077) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol.

Molecular Properties

Compound Nameethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol
PubChem CID142544077
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol
SMILESC/C=C1/C=CC(C(O)C2CCCC(C)CN2)=C1.CC
InChIInChI=1S/C15H23NO.C2H6/c1-3-12-7-8-13(9-12)15(17)14-6-4-5-11(2)10-16-14;1-2/h3,7-9,11,14-17H,4-6,10H2,1-2H3;1-2H3/b12-3-;
InChIKeyPXIBWRDKNZUELM-RZDFXPFOSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol?
The IUPAC name of ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol (CID 142544077) is ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol.
What is the SMILES notation for ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol?
The canonical SMILES for ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol is C/C=C1/C=CC(C(O)C2CCCC(C)CN2)=C1.CC.
What is the InChIKey of ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol?
The InChIKey is PXIBWRDKNZUELM-RZDFXPFOSA-N. The full InChI is InChI=1S/C15H23NO.C2H6/c1-3-12-7-8-13(9-12)15(17)14-6-4-5-11(2)10-16-14;1-2/h3,7-9,11,14-17H,4-6,10H2,1-2H3;1-2H3/b12-3-;.
What are the key properties of ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol?
ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol has a molecular weight of 263.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-(6-methylazepan-2-yl)methanol is sourced from PubChem (CID 142544077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).