1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine

C17H27NO — CID 135225340

IUPAC1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine
SMILESC=C1CCCO/C1=C/C=C(\C)CCCN1CCCC1
InChIInChI=1S/C17H27NO/c1-15(7-5-13-18-11-3-4-12-18)9-10-17-16(2)8-6-14-19-17/h9-10H,2-8,11-14H2,1H3/b15-9+,17-10+
InChIKeyNRDMBSYGSKEFGL-SVGWRPMHSA-N
MW261.41 g/mol
LogP4.06
Rot. Bonds5

About 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine

1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine (PubChem CID 135225340) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine
PubChem CID135225340
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine
SMILESC=C1CCCO/C1=C/C=C(\C)CCCN1CCCC1
InChIInChI=1S/C17H27NO/c1-15(7-5-13-18-11-3-4-12-18)9-10-17-16(2)8-6-14-19-17/h9-10H,2-8,11-14H2,1H3/b15-9+,17-10+
InChIKeyNRDMBSYGSKEFGL-SVGWRPMHSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
CID 144839997
1-[1-[3-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)prop-2-enoxy]propyl]piperidine
CID 69046520
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-ethylhex-4-enyl]pyrrolidine
CID 88234278
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine
CID 118057989
1-(6-Ethoxy-4-methylidenehept-5-enyl)pyrrolidine
CID 123449819
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
CID 129295807
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-methylhex-4-enyl]pyrrolidine
CID 132152356
1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
CID 135225329
1-[(4Z,6E)-4-ethenyl-7-hexoxyocta-4,6-dienyl]pyrrolidine
CID 135225350
1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine
CID 135225581
1-Butylpyrrolidine;ethane;2-methoxy-3-methylcyclohexa-1,3-diene
CID 144287926

Frequently Asked Questions

What is the IUPAC name of 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine?
The IUPAC name of 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine (CID 135225340) is 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine?
The canonical SMILES for 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine is C=C1CCCO/C1=C/C=C(\C)CCCN1CCCC1.
What is the InChIKey of 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine?
The InChIKey is NRDMBSYGSKEFGL-SVGWRPMHSA-N. The full InChI is InChI=1S/C17H27NO/c1-15(7-5-13-18-11-3-4-12-18)9-10-17-16(2)8-6-14-19-17/h9-10H,2-8,11-14H2,1H3/b15-9+,17-10+.
What are the key properties of 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine?
1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine is sourced from PubChem (CID 135225340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).