N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline

C13H13NO — CID 102087779

IUPACN-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline
SMILESC=C[C@H](Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H13NO/c1-2-12(13-9-6-10-15-13)14-11-7-4-3-5-8-11/h2-10,12,14H,1H2/t12-/m0/s1
InChIKeyMJVWFSOVMWMWEP-LBPRGKRZSA-N
MW199.25 g/mol
LogP3.62
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline

N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline (PubChem CID 102087779) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline
PubChem CID102087779
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline
SMILESC=C[C@H](Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H13NO/c1-2-12(13-9-6-10-15-13)14-11-7-4-3-5-8-11/h2-10,12,14H,1H2/t12-/m0/s1
InChIKeyMJVWFSOVMWMWEP-LBPRGKRZSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

anilino(furan-2-yl)methanol
CID 143292657
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
CID 132838677
N-[1-(1H-imidazol-2-yl)prop-2-enyl]aniline
CID 70576134
N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline
CID 90242518
(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
CID 171231702
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiol
CID 52913666
2-(1-phenylmethoxyprop-2-enyl)furan
CID 46944298
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
bis(anilino-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]methanethiolate);palladium(2+)
CID 52913665

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline?
The IUPAC name of N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline (CID 102087779) is N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline is C=C[C@H](Nc1ccccc1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline?
The InChIKey is MJVWFSOVMWMWEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-12(13-9-6-10-15-13)14-11-7-4-3-5-8-11/h2-10,12,14H,1H2/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline?
N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline has a molecular weight of 199.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)prop-2-enyl]aniline is sourced from PubChem (CID 102087779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).