1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine

C11H19N — CID 144835688

IUPAC1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
SMILESC=C/C=C(\C)CCN1CCCC1
InChIInChI=1S/C11H19N/c1-3-6-11(2)7-10-12-8-4-5-9-12/h3,6H,1,4-5,7-10H2,2H3/b11-6+
InChIKeyHOWHBMQWJDRQST-IZZDOVSWSA-N
MW165.28 g/mol
LogP2.60
Rot. Bonds4

About 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine

1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine (PubChem CID 144835688) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
PubChem CID144835688
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine
SMILESC=C/C=C(\C)CCN1CCCC1
InChIInChI=1S/C11H19N/c1-3-6-11(2)7-10-12-8-4-5-9-12/h3,6H,1,4-5,7-10H2,2H3/b11-6+
InChIKeyHOWHBMQWJDRQST-IZZDOVSWSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E)-2-propylpenta-2,4-dienyl]piperidine
CID 144806712
1-[(3E)-3-methylocta-3,7-dienyl]-1,4-diazepane
CID 129253878
1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyethyl]pyrrolidine
CID 142819065
prop-1-ene;1-propylpyrrolidine
CID 143531885
1,6-dipyrrolidin-1-ylhexane-3,4-dione
CID 3628395
4-methylnona-1,3-diene
CID 71327710
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
4-methylpenta-1,3-diene;1-propylpiperazine
CID 142068164
3-(azepan-1-yl)-N-prop-2-enylpropanamide
CID 109011875
1-[(2E)-3,6-dimethylocta-2,7-dienyl]pyrrolidine
CID 130462131
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine?
The IUPAC name of 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine (CID 144835688) is 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine?
The canonical SMILES for 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine is C=C/C=C(\C)CCN1CCCC1.
What is the InChIKey of 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine?
The InChIKey is HOWHBMQWJDRQST-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H19N/c1-3-6-11(2)7-10-12-8-4-5-9-12/h3,6H,1,4-5,7-10H2,2H3/b11-6+.
What are the key properties of 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine?
1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-methylhexa-3,5-dienyl]pyrrolidine is sourced from PubChem (CID 144835688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).