2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine

C14H23N — CID 145012056

IUPAC2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine
SMILESC=CC(C1CCCN1)C(C)C(=C)/C=C\C
InChIInChI=1S/C14H23N/c1-5-8-11(3)12(4)13(6-2)14-9-7-10-15-14/h5-6,8,12-15H,2-3,7,9-10H2,1,4H3/b8-5-
InChIKeyCCAVFCYZFRUHLF-YVMONPNESA-N
MW205.34 g/mol
LogP3.31
Rot. Bonds5

About 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine

2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine (PubChem CID 145012056) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine.

Molecular Properties

Compound Name2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine
PubChem CID145012056
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine
SMILESC=CC(C1CCCN1)C(C)C(=C)/C=C\C
InChIInChI=1S/C14H23N/c1-5-8-11(3)12(4)13(6-2)14-9-7-10-15-14/h5-6,8,12-15H,2-3,7,9-10H2,1,4H3/b8-5-
InChIKeyCCAVFCYZFRUHLF-YVMONPNESA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-
CID 108267
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
Hexahydrocyclopentaindole
CID 68427717
Hexahydrocycloheptindole
CID 129779532
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
CID 89089180
2-(4-Fluoro-3-methylcyclohex-3-en-1-yl)-3-(3-propan-2-yl-4-propylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 123157584
2-(4-Fluoro-3-methylcyclohexa-1,3-dien-1-yl)-3-(3-propan-2-yl-4-propylcyclohexen-1-yl)pyrrolidine
CID 123169673
2-(3-Fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 123214823
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
3-Ethyl-4-[2-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)ethyl]pyrrolidine
CID 138507730

Frequently Asked Questions

What is the IUPAC name of 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine?
The IUPAC name of 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine (CID 145012056) is 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine.
What is the SMILES notation for 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine?
The canonical SMILES for 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine is C=CC(C1CCCN1)C(C)C(=C)/C=C\C.
What is the InChIKey of 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine?
The InChIKey is CCAVFCYZFRUHLF-YVMONPNESA-N. The full InChI is InChI=1S/C14H23N/c1-5-8-11(3)12(4)13(6-2)14-9-7-10-15-14/h5-6,8,12-15H,2-3,7,9-10H2,1,4H3/b8-5-.
What are the key properties of 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine?
2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine has a molecular weight of 205.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6Z)-4-methyl-5-methylideneocta-1,6-dien-3-yl]pyrrolidine is sourced from PubChem (CID 145012056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).