3-prop-2-enoxycyclohexa-1,3-dien-1-amine

C9H13NO — CID 89362525

IUPAC3-prop-2-enoxycyclohexa-1,3-dien-1-amine
SMILESC=CCOC1=CCCC(N)=C1
InChIInChI=1S/C9H13NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2,5,7H,1,3-4,6,10H2
InChIKeyMIBOBOPSRWUEPL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.71
Rot. Bonds3

About 3-prop-2-enoxycyclohexa-1,3-dien-1-amine

3-prop-2-enoxycyclohexa-1,3-dien-1-amine (PubChem CID 89362525) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-prop-2-enoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-prop-2-enoxycyclohexa-1,3-dien-1-amine
PubChem CID89362525
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-prop-2-enoxycyclohexa-1,3-dien-1-amine
SMILESC=CCOC1=CCCC(N)=C1
InChIInChI=1S/C9H13NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2,5,7H,1,3-4,6,10H2
InChIKeyMIBOBOPSRWUEPL-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-prop-2-enoxycyclohexa-1,3-dien-1-amine (CID 89362525) is 3-prop-2-enoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-prop-2-enoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-prop-2-enoxycyclohexa-1,3-dien-1-amine is C=CCOC1=CCCC(N)=C1.
What is the InChIKey of 3-prop-2-enoxycyclohexa-1,3-dien-1-amine?
The InChIKey is MIBOBOPSRWUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2,5,7H,1,3-4,6,10H2.
What are the key properties of 3-prop-2-enoxycyclohexa-1,3-dien-1-amine?
3-prop-2-enoxycyclohexa-1,3-dien-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89362525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).