ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine

C14H21N — CID 143902101

IUPACethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine
SMILESC=Cc1cc2n(c1/C=C\C)CCC2.CC
InChIInChI=1S/C12H15N.C2H6/c1-3-6-12-10(4-2)9-11-7-5-8-13(11)12;1-2/h3-4,6,9H,2,5,7-8H2,1H3;1-2H3/b6-3-;
InChIKeyKVFNYSQFNASHSQ-AQPBACSKSA-N
MW203.33 g/mol
LogP4.14
Rot. Bonds2

About ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine

ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine (PubChem CID 143902101) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Nameethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine
PubChem CID143902101
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine
SMILESC=Cc1cc2n(c1/C=C\C)CCC2.CC
InChIInChI=1S/C12H15N.C2H6/c1-3-6-12-10(4-2)9-11-7-5-8-13(11)12;1-2/h3-4,6,9H,2,5,7-8H2,1H3;1-2H3/b6-3-;
InChIKeyKVFNYSQFNASHSQ-AQPBACSKSA-N
XLogP4.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine (CID 143902101) is ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine is C=Cc1cc2n(c1/C=C\C)CCC2.CC.
What is the InChIKey of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine?
The InChIKey is KVFNYSQFNASHSQ-AQPBACSKSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-3-6-12-10(4-2)9-11-7-5-8-13(11)12;1-2/h3-4,6,9H,2,5,7-8H2,1H3;1-2H3/b6-3-;.
What are the key properties of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine?
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine has a molecular weight of 203.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 143902101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).