5-(1-aminocyclopropyl)-2-methoxybenzaldehyde

C11H13NO2 — CID 167171033

IUPAC5-(1-aminocyclopropyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(C2(N)CC2)cc1C=O
InChIInChI=1S/C11H13NO2/c1-14-10-3-2-9(6-8(10)7-13)11(12)4-5-11/h2-3,6-7H,4-5,12H2,1H3
InChIKeyJZWCBQONZMRNOS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.46
Rot. Bonds3

About 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde

5-(1-aminocyclopropyl)-2-methoxybenzaldehyde (PubChem CID 167171033) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-2-methoxybenzaldehyde
PubChem CID167171033
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-(1-aminocyclopropyl)-2-methoxybenzaldehyde
SMILESCOc1ccc(C2(N)CC2)cc1C=O
InChIInChI=1S/C11H13NO2/c1-14-10-3-2-9(6-8(10)7-13)11(12)4-5-11/h2-3,6-7H,4-5,12H2,1H3
InChIKeyJZWCBQONZMRNOS-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde?
The IUPAC name of 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde (CID 167171033) is 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde.
What is the SMILES notation for 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde?
The canonical SMILES for 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde is COc1ccc(C2(N)CC2)cc1C=O.
What is the InChIKey of 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde?
The InChIKey is JZWCBQONZMRNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10-3-2-9(6-8(10)7-13)11(12)4-5-11/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde?
5-(1-aminocyclopropyl)-2-methoxybenzaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-2-methoxybenzaldehyde is sourced from PubChem (CID 167171033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).