1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde

C15H15NO — CID 170487685

IUPAC1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde
SMILESNCCC=Cc1c(C=O)ccc2ccccc12
InChIInChI=1S/C15H15NO/c16-10-4-3-7-15-13(11-17)9-8-12-5-1-2-6-14(12)15/h1-3,5-9,11H,4,10,16H2
InChIKeyFVHFUYVKRLNFJN-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde

1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde (PubChem CID 170487685) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde
PubChem CID170487685
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde
SMILESNCCC=Cc1c(C=O)ccc2ccccc12
InChIInChI=1S/C15H15NO/c16-10-4-3-7-15-13(11-17)9-8-12-5-1-2-6-14(12)15/h1-3,5-9,11H,4,10,16H2
InChIKeyFVHFUYVKRLNFJN-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
CID 170477329
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
CID 169476208
1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde
CID 170496520
S-[3-(2-formylnaphthalen-1-yl)prop-2-enyl] ethanethioate
CID 169457992
1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde
CID 165389450
2-ethyl-1-[(E)-hex-1-enyl]naphthalene
CID 166460669
2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
CID 170486809
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
4-(4-aminobut-1-enyl)benzaldehyde
CID 170486569
1-(hydroxymethyl)naphthalene-2-carbaldehyde
CID 21242059

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde?
The IUPAC name of 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde (CID 170487685) is 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde is NCCC=Cc1c(C=O)ccc2ccccc12.
What is the InChIKey of 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde?
The InChIKey is FVHFUYVKRLNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c16-10-4-3-7-15-13(11-17)9-8-12-5-1-2-6-14(12)15/h1-3,5-9,11H,4,10,16H2.
What are the key properties of 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde?
1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 170487685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).