ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate

C16H25NO2 — CID 10061318

IUPACethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESC/C=C/C1(C(=O)OCC)CCCC=C1N1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-10-16(15(18)19-4-2)11-6-5-9-14(16)17-12-7-8-13-17/h3,9-10H,4-8,11-13H2,1-2H3/b10-3+
InChIKeyATQQRXBICUAQKH-XCVCLJGOSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds4

About ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate

ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate (PubChem CID 10061318) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
PubChem CID10061318
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESC/C=C/C1(C(=O)OCC)CCCC=C1N1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-10-16(15(18)19-4-2)11-6-5-9-14(16)17-12-7-8-13-17/h3,9-10H,4-8,11-13H2,1-2H3/b10-3+
InChIKeyATQQRXBICUAQKH-XCVCLJGOSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 6-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 134979743
Methyl 5,5-dimethyl-6-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 134980803
Methyl 2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 13538149
methyl (1S)-1-methyl-2-morpholin-4-ylcyclohex-2-ene-1-carboxylate
CID 71019149
Ethyl 2-(azepan-1-yl)-1-methylcyclohex-2-ene-1-carboxylate
CID 10015734
ethyl 2-piperidin-1-yl-1-[(E)-prop-1-enyl]cyclohex-2-ene-1-carboxylate
CID 10016363
Ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10037171
Ethyl 1-methyl-2-piperidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10037812
Methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate
CID 10061319
Ethyl 2-(azepan-1-yl)-1-prop-2-enylcyclopent-2-ene-1-carboxylate
CID 10084898
Ethyl 2-piperidin-1-yl-1-prop-2-enylcyclopent-2-ene-1-carboxylate
CID 10106818
ethyl 1-[(E)-3-bromo-2-methylprop-2-enyl]-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate
CID 10246741

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate (CID 10061318) is ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate is C/C=C/C1(C(=O)OCC)CCCC=C1N1CCCC1.
What is the InChIKey of ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
The InChIKey is ATQQRXBICUAQKH-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-16(15(18)19-4-2)11-6-5-9-14(16)17-12-7-8-13-17/h3,9-10H,4-8,11-13H2,1-2H3/b10-3+.
What are the key properties of ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10061318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).