4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine

C10H16N2O — CID 89473941

IUPAC4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCNC2)=CC1
InChIInChI=1S/C10H16N2O/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1,3-4,8,10,12H,2,5-7,11H2
InChIKeyIAPRVQFRTBKRNV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.54
Rot. Bonds2

About 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine

4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine (PubChem CID 89473941) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine
PubChem CID89473941
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OC2CCNC2)=CC1
InChIInChI=1S/C10H16N2O/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1,3-4,8,10,12H,2,5-7,11H2
InChIKeyIAPRVQFRTBKRNV-UHFFFAOYSA-N
XLogP0.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine (CID 89473941) is 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine is NC1C=CC(OC2CCNC2)=CC1.
What is the InChIKey of 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine?
The InChIKey is IAPRVQFRTBKRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1,3-4,8,10,12H,2,5-7,11H2.
What are the key properties of 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine?
4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yloxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89473941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).