ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine

C15H27N — CID 143436314

IUPACethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine
SMILESC=C/C=C\C(=C/CCC)N1CCCC1.CC
InChIInChI=1S/C13H21N.C2H6/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-14;1-2/h3,5,9-10H,1,4,6-8,11-12H2,2H3;1-2H3/b9-5-,13-10+;
InChIKeyDMIKSGZQQPWELV-YJCOSVNISA-N
MW221.39 g/mol
LogP4.53
Rot. Bonds5

About ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine

ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine (PubChem CID 143436314) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine
PubChem CID143436314
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine
SMILESC=C/C=C\C(=C/CCC)N1CCCC1.CC
InChIInChI=1S/C13H21N.C2H6/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-14;1-2/h3,5,9-10H,1,4,6-8,11-12H2,2H3;1-2H3/b9-5-,13-10+;
InChIKeyDMIKSGZQQPWELV-YJCOSVNISA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine?
The IUPAC name of ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine (CID 143436314) is ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine.
What is the SMILES notation for ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine?
The canonical SMILES for ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine is C=C/C=C\C(=C/CCC)N1CCCC1.CC.
What is the InChIKey of ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine?
The InChIKey is DMIKSGZQQPWELV-YJCOSVNISA-N. The full InChI is InChI=1S/C13H21N.C2H6/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-14;1-2/h3,5,9-10H,1,4,6-8,11-12H2,2H3;1-2H3/b9-5-,13-10+;.
What are the key properties of ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine?
ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine has a molecular weight of 221.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine is sourced from PubChem (CID 143436314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).