3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine

C13H19NO — CID 143411991

IUPAC3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
SMILESC=CCOC1CC(N)C(/C=C\C)=C1C=C
InChIInChI=1S/C13H19NO/c1-4-7-11-10(6-3)13(9-12(11)14)15-8-5-2/h4-7,12-13H,2-3,8-9,14H2,1H3/b7-4-
InChIKeyRUXCIYQAAWNSRZ-DAXSKMNVSA-N
MW205.30 g/mol
LogP2.35
Rot. Bonds5

About 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine

3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine (PubChem CID 143411991) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
PubChem CID143411991
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
SMILESC=CCOC1CC(N)C(/C=C\C)=C1C=C
InChIInChI=1S/C13H19NO/c1-4-7-11-10(6-3)13(9-12(11)14)15-8-5-2/h4-7,12-13H,2-3,8-9,14H2,1H3/b7-4-
InChIKeyRUXCIYQAAWNSRZ-DAXSKMNVSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3a,6-dihydro-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
CID 22004817
4-Cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
CID 70974500
2,3-Dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
CID 89073822
4-Cyclopentyloxy-2-methylcyclohex-2-en-1-amine
CID 89154099
2-[2-(3-Aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
CID 142994221
2-[5-[(1E,3Z)-hexa-1,3,5-trienyl]oxolan-2-yl]ethanamine
CID 143195163
3-(Cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
CID 143260495
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
cis-(1S,2E,4R)-2-[(E)-2-methoxypent-2-enylidene]-3-methylidene-4-prop-2-enoxycyclopentan-1-amine;ethane
CID 143411995
2-[(3E)-hexa-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522196
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522212
(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine
CID 143585699

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine (CID 143411991) is 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine is C=CCOC1CC(N)C(/C=C\C)=C1C=C.
What is the InChIKey of 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
The InChIKey is RUXCIYQAAWNSRZ-DAXSKMNVSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-7-11-10(6-3)13(9-12(11)14)15-8-5-2/h4-7,12-13H,2-3,8-9,14H2,1H3/b7-4-.
What are the key properties of 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine?
3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 143411991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).