2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol

C17H23N3O2 — CID 155717780

IUPAC2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol
SMILESC=CCN(CC=C)C(C=O)c1ccc2c(cnn2C)c1.CO
InChIInChI=1S/C16H19N3O.CH4O/c1-4-8-19(9-5-2)16(12-20)13-6-7-15-14(10-13)11-17-18(15)3;1-2/h4-7,10-12,16H,1-2,8-9H2,3H3;2H,1H3
InChIKeyPSFCUWQDQZUHRF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.10
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol

2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol (PubChem CID 155717780) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol
PubChem CID155717780
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol
SMILESC=CCN(CC=C)C(C=O)c1ccc2c(cnn2C)c1.CO
InChIInChI=1S/C16H19N3O.CH4O/c1-4-8-19(9-5-2)16(12-20)13-6-7-15-14(10-13)11-17-18(15)3;1-2/h4-7,10-12,16H,1-2,8-9H2,3H3;2H,1H3
InChIKeyPSFCUWQDQZUHRF-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol (CID 155717780) is 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol is C=CCN(CC=C)C(C=O)c1ccc2c(cnn2C)c1.CO.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol?
The InChIKey is PSFCUWQDQZUHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.CH4O/c1-4-8-19(9-5-2)16(12-20)13-6-7-15-14(10-13)11-17-18(15)3;1-2/h4-7,10-12,16H,1-2,8-9H2,3H3;2H,1H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol?
2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol has a molecular weight of 301.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-2-(1-methylindazol-5-yl)acetaldehyde;methanol is sourced from PubChem (CID 155717780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).