N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine

C9H13NO — CID 43177064

IUPACN-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)c1ccco1
InChIInChI=1S/C9H13NO/c1-3-6-10-8(2)9-5-4-7-11-9/h3-5,7-8,10H,1,6H2,2H3
InChIKeyWMPOPPALMKGNLX-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.12
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine

N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 43177064) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
PubChem CID43177064
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNC(C)c1ccco1
InChIInChI=1S/C9H13NO/c1-3-6-10-8(2)9-5-4-7-11-9/h3-5,7-8,10H,1,6H2,2H3
InChIKeyWMPOPPALMKGNLX-UHFFFAOYSA-N
XLogP2.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.12
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

(E)-3-chloro-N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 104578507
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
(E)-4-[1-(furan-2-yl)ethylamino]but-2-enoic acid
CID 103238492
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
(Z)-2-ethyl-4-[[(1R)-1-(furan-2-yl)ethyl]amino]but-2-enoic acid
CID 103260109
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine
CID 81400648
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine (CID 43177064) is N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine is C=CCNC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is WMPOPPALMKGNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-6-10-8(2)9-5-4-7-11-9/h3-5,7-8,10H,1,6H2,2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine?
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 43177064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).