cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine

C15H23NO2 — CID 143411996

IUPACcis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine
SMILESC=CCO[C@@H]1C[C@H](N)/C(=C/C(=C\CC)OC)C1=C
InChIInChI=1S/C15H23NO2/c1-5-7-12(17-4)9-13-11(3)15(10-14(13)16)18-8-6-2/h6-7,9,14-15H,2-3,5,8,10,16H2,1,4H3/b12-7+,13-9+/t14-,15+/m0/s1
InChIKeyNQNRGWJCVNFVFC-DDVDGZAMSA-N
MW249.35 g/mol
LogP2.71
Rot. Bonds6

About cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine

cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine (PubChem CID 143411996) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine
PubChem CID143411996
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namecis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine
SMILESC=CCO[C@@H]1C[C@H](N)/C(=C/C(=C\CC)OC)C1=C
InChIInChI=1S/C15H23NO2/c1-5-7-12(17-4)9-13-11(3)15(10-14(13)16)18-8-6-2/h6-7,9,14-15H,2-3,5,8,10,16H2,1,4H3/b12-7+,13-9+/t14-,15+/m0/s1
InChIKeyNQNRGWJCVNFVFC-DDVDGZAMSA-N
XLogP2.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine?
The IUPAC name of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine (CID 143411996) is cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine?
The canonical SMILES for cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine is C=CCO[C@@H]1C[C@H](N)/C(=C/C(=C\CC)OC)C1=C.
What is the InChIKey of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine?
The InChIKey is NQNRGWJCVNFVFC-DDVDGZAMSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-7-12(17-4)9-13-11(3)15(10-14(13)16)18-8-6-2/h6-7,9,14-15H,2-3,5,8,10,16H2,1,4H3/b12-7+,13-9+/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine?
cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine is sourced from PubChem (CID 143411996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).