(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine

C9H13NO — CID 55254010

IUPAC(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
SMILESC/C(=C\c1ccco1)CCN
InChIInChI=1S/C9H13NO/c1-8(4-5-10)7-9-3-2-6-11-9/h2-3,6-7H,4-5,10H2,1H3/b8-7+
InChIKeyAWGPEDOUGPAEPN-BQYQJAHWSA-N
MW151.21 g/mol
LogP2.03
Rot. Bonds3

About (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine

(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine (PubChem CID 55254010) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
PubChem CID55254010
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
SMILESC/C(=C\c1ccco1)CCN
InChIInChI=1S/C9H13NO/c1-8(4-5-10)7-9-3-2-6-11-9/h2-3,6-7H,4-5,10H2,1H3/b8-7+
InChIKeyAWGPEDOUGPAEPN-BQYQJAHWSA-N
XLogP2.03
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-2-methoxyprop-2-en-1-amine
CID 70452275
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide
CID 946135
2-[(E)-2-bromo-2-fluoroethenyl]furan
CID 119081936
1,5-bis(furan-2-yl)-3,3-bis(hydroxymethyl)penta-1,4-diene-2,4-diol
CID 70535649
(3R)-3-acetyl-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]oxolan-2-one
CID 100982900
5-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-1,3-oxazol-2-amine
CID 178197146
(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one
CID 15535984
2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan
CID 162340732
(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine
CID 7408885

Frequently Asked Questions

What is the IUPAC name of (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine (CID 55254010) is (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine is C/C(=C\c1ccco1)CCN.
What is the InChIKey of (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine?
The InChIKey is AWGPEDOUGPAEPN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(4-5-10)7-9-3-2-6-11-9/h2-3,6-7H,4-5,10H2,1H3/b8-7+.
What are the key properties of (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine?
(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 55254010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).