cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane

C13H21NO — CID 142413020

IUPACcyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane
SMILESC=C/C=C1/CCO/C1=C/C.NCC1CC1
InChIInChI=1S/C9H12O.C4H9N/c1-3-5-8-6-7-10-9(8)4-2;5-3-4-1-2-4/h3-5H,1,6-7H2,2H3;4H,1-3,5H2/b8-5-,9-4+;
InChIKeyICOGUCHDEXFMPB-HHHUAFAMSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds2

About cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane

cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane (PubChem CID 142413020) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane.

Molecular Properties

Compound Namecyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane
PubChem CID142413020
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane
SMILESC=C/C=C1/CCO/C1=C/C.NCC1CC1
InChIInChI=1S/C9H12O.C4H9N/c1-3-5-8-6-7-10-9(8)4-2;5-3-4-1-2-4/h3-5H,1,6-7H2,2H3;4H,1-3,5H2/b8-5-,9-4+;
InChIKeyICOGUCHDEXFMPB-HHHUAFAMSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane?
The IUPAC name of cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane (CID 142413020) is cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane.
What is the SMILES notation for cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane?
The canonical SMILES for cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane is C=C/C=C1/CCO/C1=C/C.NCC1CC1.
What is the InChIKey of cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane?
The InChIKey is ICOGUCHDEXFMPB-HHHUAFAMSA-N. The full InChI is InChI=1S/C9H12O.C4H9N/c1-3-5-8-6-7-10-9(8)4-2;5-3-4-1-2-4/h3-5H,1,6-7H2,2H3;4H,1-3,5H2/b8-5-,9-4+;.
What are the key properties of cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane?
cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane has a molecular weight of 207.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanamine;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane is sourced from PubChem (CID 142413020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).